| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 11 | Yes |
Popular Name: p-Toluenesulfonic acid monohydrate p-Toluenesulfonic acid monohydrate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 104-15-4 , 104530-79-2 , 104530-80-5 , 1108656-90-1 , 111769-27-8 , 112839-95-9 , 1212353-38-2 , 123334-05-4 , 1339953-58-0 , 13445-63-1 , 1414860-36-8 , 143062-84-4 , 14503-41-4 , 149572-95-2 , 149572-97-4 , 16836-95-6 , 172947-14-7 , 178688-49-8 , 1866-13-3 , 19249-03-7 , 204387-55-3 , 20845-17-4 , 24057-28-1 , 3037-04-5 , 312619-41-3 , 37842-58-3 , 3983-91-3 , 409081-18-1 , 410522-18-8 , 5098-14-6 , 51693-17-5 , 55357-38-5 , 58086-67-2 , 59229-09-3 , 59387-91-6 , 6192-52-5 , 657-84-1 , 7294-10-2 , 733-44-8 , 7403-46-5 , 76093-73-7 , 77214-82-5 , 862273-27-6 , 924898-12-4 , 93471-41-1 , 942308-06-7 , 952340-39-5 , N/A , Silver p-toluenesulphonate , [104-15-4] , [111769-27-8] , [112839-95-9] , [13732-62-2] , [172947-14-7] , [204387-55-3] , [23735-43-5] , [24057-28-1] , [312619-41-3] , [37842-58-3] , [410522-18-8] , [59229-09-3] , [6192-52-5] , [657-84-1] , [77214-82-5] , [862273-27-6] , [952340-39-5]
"p-Toluenesulfonic acid monohydrate, 99%"
"Pyridinium p-toluenesulfonate, 98%"
(1R,2S)-2-fluorocyclopropanamine 4-methylbenzenesulfonate
(1R,2S)-2-Fluorocyclopropanamine4-methylbenzenesulfonate
(1R,2S)-2-fluorocyclopropylamine p-toluenesulfonic acid salt
(1R,2S)-2-fluorocyclopropylamine ptoluenesulfonic acid salt
(1R,2S)-2-FluoroCyclopropylamine tosylate
(1R,2S)-Methyl 1-amino-2-vinylcyclopropanecarboxylate 4-methylbenzenesulfonate
(1r,2s)-methyl1-amino-2-vinylcyclopropanecarboxylate4-methylbenzenesulfonate
(2-Hydroxyethyl)trimethylammonium p-toluenesulfonate
(2S)-2-Methylpyrrolidine toluene-4-sulphonate
(R)-(+)-3-Aminotetrahydrofuran p-toluenesulfonate
(R)-(+)-3-Aminotetrahydrofuran p-toluenesulfonate salt
(R)-(+)-3-Aminotetrahydrofuran p-toluenesulfonate salt, 95%
(R)-(+)-3-Aminotetrahydrofuran p-toluenesulfonate salt, 97%
(R)-(+)-3-Aminotetrahydrofuran p-toluenesulfonate, 99+%
(R)-(+)-Tetrahydro-3-furylamine p-toluenesulfonate
(R)-(+)-Tetrahydro-3-furylamine p-toluenesulfonate salt
(R)-2-Methylpyrrolidine 4-methylphenylsulphonate
(R)-2-Methylpyrrolidine p-toluenesulfonate
(R)-2-Methylpyrrolidine p-toluenesulfonate, 97%
(R)-2-methylpyrrolidine tosylate
(R)-2-Methylpyrrolidine4-methylphenylsulphonate
(R)-3-Amino-2-oxetanone p-toluenesulfonic acid salt
(R)-3-Aminooxetan-2-one 4-methylbenzenesulfonate
(R)-3-Aminooxetan-2-one4-methylbenzenesulfonate
(R)-3-Aminotetrahydrofuran tosylate
(R)-Methyl 3-aminobutanoate 4-methylbenzenesulfonate
(R)-Tetrahydrofuran-3-amine 4-methylbenzenesulfonate
(R)-Tetrahydrofuran-3-amine Toluene sulfonate
(R)-Tetrahydrofuran-3-amine-4-methylbenzenesulfonate
(S)-(+)-2,2-Dimethyl-4-(hydroxymethyl)-1,3-dioxolane-p-toluenesulfonate
(S)-(+)-5-(Hydroxymethyl)-2-pyrrolidinone p-toluenesulfonate
(S)-(+)-5-(Hydroxymethyl)-2-pyrrolidinone-p-toluenesulfonate
(S)-(-)-3-aminotetrahydrofuran p-toluenesulfonate
(S)-2-Methyl-pyrrolidine tosylate
(S)-2-Methylpyrrolidine 4-methylbenzenesulfonate
(S)-2-Methylpyrrolidine p-toluenesulfonate
(S)-2-Methylpyrrolidine p-toluenesulfonate, 97%
(S)-2-Methylpyrrolidine tosylate
(S)-2-Methylpyrrolidine4-methylbenzenesulfonate
(S)-3-Amino-2-oxetanone p-toluenesulfonic acid
(S)-3-Amino-2-oxetanone p-toluenesulfonic acid sal
(S)-3-Amino-2-oxetanone p-toluenesulfonic acid salt
(S)-3-Aminooxetan-2-one 4-methylbenzenesulfonate
(S)-3-Aminotetrahydrofuran tosylate
(S)-5-(Hydroxymethyl)pyrrolidin-2-one 4-methylbenzenesulfonate
(S)-Allyl 2-aminopropanoate 4-methylbenzenesulfonate
(S)-Tetrahydrofuran-3-amine 4-methylbenzenesulfonate
(S)-Tetrahydrofuran-3-amine-4-methylbenzenesulfonate
FLUOROCYCLOPROPYLAMINETOSYLATE
1,3-Dimethyl-2-fluoropyridinium toluene-4-sulfonate
1-(amino)-2-pyrollidinone p-toluenesulfonate
1-Butyl-3-methyl-imidazolium-tosylate
104-15-4; 4-toluenesulfonate; 4-toluenesulphonate; p-toluenesulfonate; toluene-4-sulfonate
104-15-4; C06677; Toluene-4-sulfonate; Tosylate
13445-63-1; D07157; Itramin tosilate (INN); Itramin tosylate
2,3-dihydro-1-benzofuran-4-amine; 4-methylbenzene-1-sulfonic acid
2,4,6-Collidinium p-toluenesulfonate
2,4,6-Trimethylpyridinium p-Toluenesulfonate
2,4,6-Trimethylpyridinium p-toluenesulfonate, 98%
2,6-Dimethylpyridinium p-toluenesulfonate
2,6-DiMethylpyridiniuMp-Toluenesulfonate
2-AMinoethanethiol p-Toluenesulfonate
2-AMinoethanethiolp-Toluenesulfonate
2-Aminomalononitrile 4-methylbenzenesulfonate
2-Aminomalononitrile toluene-4-sulphonate
2-Chloro-1-methylpyridin-1-ium 4-methylbenzenesulfonate
2-Chloro-1-methylpyridinium p-Toluenesulfonate
2-chloro-1-methylpyridiniump-toluenesulfonate
2-Cyclopropyl-2-propylamine p-toluenesulfonate salt
2-CYCLOPROPYL-2-PROPYLAMINEP-TOLUENESULFONATE
2-Cyclopropyl-propylamine -p-touluyl salt
2-Cyclopropyl-propylamine -p-touluyl salt, 98.5%+
2-Fluoro-1-methylpyridinium 4-toluenesulphonate
2-Fluoro-1-methylpyridinium p-toluenesulfonate
2-Fluoro-1-methylpyridinium p-toluenesulfonate, tech. 90%
2-Fluoro-1-methylpyridinium p-toluenesulphonate
2-Fluoro-1-methylpyridinium p-toluenesulphonate[Mukaiyamas fluorinating agent]
2-fluoro-1-methylpyridiniump-toluenesulfonate
2-Fluoro-N-methylpyridinium toluene-4-sulfonate
2-Fluoro-N-methylpyridinium toluene-4-sulphonate
2-Fluoro-N-methylpyridinium toluene-4-sulphonate 95%
2-Hydrazino-1-methylpyridiniumtosylate
2-Hydroxy-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate
3-(Methoxymethyl)azetidine 4-methylbenzenesulfonate
3-oxa-6-azabicyclo[3.1.1]heptane; 4-methylbenzene-1-sulfonic acid
4,5,6,7-Tetrahydrothieno[3,2-c]pyridin-2(3H)-one 4-methylbenzenesulfonate
4,5,6,7-Tetrahydrothieno[3,2-c]pyridin-2(3H)-one4-methylbenzenesulfonate
4-Amino-2,3-dihydrobenzofuran tosylate
4-Bromo-1-methyl-1,2,3,6-tetrahydropyridine 4-methylbenzenesulfonate
4-Methylbenzenesulfonic acid monohydrate
4-TOLUENESULFONIC ACID PYRIDINE SALT
5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one 4-methylbenzenesulfonate
6-Oxa-3-azabicyclo[3.1.1]heptane 4-methylbenzenesulfonate
a,a-Dimethylcyclopropylmethylamine p-toluenesulfonate salt
Acetic acid, 2-amino-2-cyano-, ethyl ester, 4-methylbenzenesulfonate (1:1)
Aminomalononitrile p-toluenesulfonate
Aminomalononitrile p-toluenesulfonate, 97+%
Aminomalononitrile p-toluenesulfonate, 98%
Aminomalononitrilep-ToluenesulfonicAcid
Benzenesulfonic acid,4-methyl-, zinc salt, hydrate (2:1:?)
Benzenesulfonic acid,4-methyl-,(3-methylphenyl)met
Benzenesulfonic acid,4-methyl-,(3-methylphenyl)methyl ester
Choline p-toluenesulfonate, 97%
Ethyl 2-amino-2-cyanoacetate 4-methylbenzenesulfonate
Ethyl 2-amino-2-cyanoacetate mono(4-methylbenzenesulfonate)
Ethyl2-amino-2-cyanoacetate4-methylbenzenesulfonate
Ethylenediaminep-toluenesulfonate
Iron(III) 4-methylbenzenesulfonate
Iron(III) p-toluenesulfonate hexahydrate
Iron(III)p-toluenesulfonatehexahydrate
methyl N-isopropyl-(isopropylamino)methanimidothioate 4-toluenesulfonate
Morpholinium toluene-4-sulphonate
N,N-dimethylpyrrolidin-3-amine 4-methylbenzenesulfonate
N-Fluoro-4-Methylpyridinium Toluene-4-Sulfonate [58086-67-2]
N-methylhex-5-en-1-amine4-methylbenzenesulfonate
p-Toluenesulfonic acid monohydrate, 97%
p-Toluenesulfonic acid monohydrate, 98%
p-Toluenesulfonic acid monohydrate, 99%, extra pure
p-Toluenesulfonic acid monohydrate, ACS
p-Toluenesulfonic acid monohydrate, ACS reagent
p-Toluenesulfonic acid monohydrate, ACS, 98.5+%
p-Toluenesulfonic acid pyridine salt
p-Toluenesulfonic acid silver salt
p-Toluenesulfonic acid sodium salt
p-Toluenesulfonic acid sodium salt, 90+%
p-Toluenesulfonic acid tetraethylammonium salt
p-Toluenesulfonic acid zinc salt hydrate
Propionylcholine p-Toluenesulfonate
Pyridin-1-ium 4-methylbenzenesulfonate
Pyridinium p-toluenesulfonate, 98%
Pyridinium p-toluenesulfonate, 98+%
Pyridinium p-toluenesulfonates
Pyridinium p-toluenesulfonates, 98%+
Pyridinium toluene-4-sulphonate
Pyrrolidine-2-carbonitrile 4-methylbenzenesulfonate
R -3-AMINOTETRAHYDROFURANTOLUENE-4-SU
Silver p-toluenesulfonate, 98+%
Sodium 4-methylbenzenesulfonate
Tetraethylammonium p-toluenesulfonate
Tetraethylammonium p-toluenesulfonate, 98% (dry wt.), may cont. up to 2% water
TETRAHYDROFURANAMINEMETHYLBENZENESULFONAT
TetraMethylaMMoniuM p-Toluenesulfonate
Tri(ethylene glycol) di-p-toluenesulfonate
Tri(ethylene glycol) di-p-toluenesulfonate, 98%
Triethylene Glycol Bis(p-toluenesulfonate)
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -0.62 | 1.26 | -45.59 | 0 | 3 | -1 | 57 | 171.197 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.73 | 6.74 | -116.29 | 5 | 2 | 2 | 44 | 236.403 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 100 - 108 | Acros Organics |
| Melting_Point | 100-106? | Alfa-Aesar |
| Melting_Point | 100-106° | Alfa-Aesar |
| MP | 101 - 103 | Enamine Building Blocks |
| MP | 101...103 | Enamine Building Blocks |
| MP | 103-105° | Oakwood Chemical |
| Melting_Point | 103-106? | Alfa-Aesar |
| Melting_Point | 103-106?(anhy) | Alfa-Aesar |
| Melting_Point | 103-106° | Alfa-Aesar |
| Melting_Point | 103-106°(anhy) | Alfa-Aesar |
| Melting_Point | 105-108? | Alfa-Aesar |
| Melting_Point | 105-108° | Alfa-Aesar |
| Mp [°C] | 116 - 120 | Acros Organics |
| Melting_Point | 116-120? | Alfa-Aesar |
| Melting_Point | 116-120° | Alfa-Aesar |
| MP | 117 | TCI |
| MP | 118-120° | Oakwood Chemical |
| MP | 120 | TCI |
| Melting_Point | 128-130? | Alfa-Aesar |
| Melting_Point | 128-131? | Alfa-Aesar |
| Melting_Point | 128-131° | Alfa-Aesar |
| MP | 132-134° | Fluorochem |
| Mp [°C] | 137.3 - 138.8 | Acros Organics |
| Melting_Point | 139-141? | Alfa-Aesar |
| Melting_Point | 139-141° | Alfa-Aesar |
| Boiling_Point | 140?/20mm | Alfa-Aesar |
| Boiling_Point | 140°/20mm | Alfa-Aesar |
| mp | 142 - 143 | MolMall (formerly Molecular Diversity Preservation International) |
| MP | 167 | TCI |
| ALOGPS_SOLUBILITY | 2.30e+00 g/l | DrugBank-experimental |
| Melting_Point | 80-82? | Alfa-Aesar |
| Melting_Point | 80-82° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95%+ | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| Purity | 98% | Fluorochem |
| Melting_Point | ca 169? dec. | Alfa-Aesar |
| Melting_Point | ca 169° dec. | Alfa-Aesar |
| Patent Database Links | EP0775694; EP0776891; EP0778022; EP0816337; EP0822189; EP0864580; EP0872479; EP0916675; EP0919998; EP0949255; EP0976749; EP1006116; EP1026163; EP1063231; EP1134218; EP1201628; EP1201662; EP1229013; EP1247807; EP1254884; EP1312605; EP1327632; EP1329448; EP | ChEBI |
| H phrase | H302: Harmful if swallowed; H315: Causes skin irritation; H317: May cause an allergic skin reaction; H319: Causes serious eye irritation | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage | Acros Organics |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H302: Harmful if swallowed; H312: Harmful in contact with skin; H332: Harmful if inhaled | Acros Organics |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H315: Causes skin irritation; H319: Causes serious eye irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P280: Wear protective gloves/protective clothing/eye protection/face protection; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash wit | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p | Acros Organics |
| Notes | Peptide coupling agent. see: Chem.Lett.,547(1984)for synthesis of alpha-ribonucleotides | Apollo Scientific |
| Notes | Peptide coupling agent. see: Chem.Lett.,547(1984)for synthesis of alpha-ribonucleotides. | Apollo Scientific Bioactives |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/38: Irritating to eyes and skin.; R43: May cause sensitisation by skin contact. | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S22: Do not breathe dust. | Acros Organics |
| S phrase | S22: Do not breathe dust.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| UniProt Database Links | TSAB1_COMTE; TSAB2_COMTE; TSAC_COMTE; TSAD1_COMTE; TSAD2_COMTE; TSAM1_COMTE; TSAM2_COMTE | ChEBI |
| Patent Database Links | US2001031858; US2003096856; US2005020622; US2005054664; US2005187246; US2006035936; US2006058335; US2006090269; US2006167039; US2006195990; WO2006017045; WO2006019660; WO2006069097; WO2006117743 | ChEBI |
| Hazard | XI: Irritant | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
