In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2005 | 8 | Yes |
Popular Name: 2-Thiophenecarboxylic acid 2-Thiophenecarboxylic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1292766-17-6 , 20897-85-2 , 25112-68-9 , 527-72-0 , 68986-76-5 , N/A , [25112-68-9] , [527-72-0] , [68986-76-5]
"2-Thiophenecarboxylic acid sodium salt, 97%"
2-carboxylatothiophene; 2-thienoate; 2-thiophenecarboxylate; thienyl-2-carboxylate
2-THIOPHENECARBOXYLIC ACID SODIUM SALT
2-Thiophenecarboxylic acid, 99%
2-Thiophenecarboxylic acid, ion
527-72-0; D08568; Rhinotrophyl (TN); Tenoic acid (DCF); Thiophene-2-carbixylic acid
Copper (I) thiophene-2-carboxylate
Copper (I) thiophenecarboxylate
Copper(I) thiophene-2-carboxylate
Copper(I) thiophene-2-carboxylate hydrate
Copper(I) thiophene-2-carboxylate, 90%, may contain approx. 20 wt.% Copper(I) oxide
Copper(I) thiophene-2-carboxylate, 95%, may contain approx. 20 wt.% Copper(I) oxide
Copper(I)thiophene-2-carboxylate
sodium thiophene-2-carboxylate
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) | 1.41 | 3.19 | -49 | 0 | 2 | -1 | 40 | 127.144 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Mp [°C] | 126 - 130 | Acros Organics |
Melting_Point | 126-130? | Alfa-Aesar |
Melting_Point | 126-130° | Alfa-Aesar |
MP | 127-130° | Fluorochem |
MP | 128 | TCI |
Boiling_Point | 259-261? | Alfa-Aesar |
Boiling_Point | 259-261° | Alfa-Aesar |
BP [°C] | 260 | Acros Organics |
BP | 260° | Matrix Scientific |
MP | 46 - 48 | Enamine Building Blocks |
MP | 46...48 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 95% | Fluorochem |
Purity | 95+% | Matrix Scientific |
Purity | 96% | Matrix Scientific |
Purity | 98% | APIChem |
Purity | 99% | Fluorochem |
H phrase | H319: Causes serious eye irritation | Acros Organics |
H phrase | H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory irritation; H411: Toxic to aquatic life with long lasting effects; H302: Harmful if swallowed | 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; H302: Harmful if swallowed; H312: Harmful in contact with skin | Acros Organics |
Warnings | IRRITANT | Matrix Scientific |
Warnings | IRRITANT, AIR SENSITIVE, LIGHT SENSITIVE | Matrix Scientific |
Warnings | Irritant/Light Sensitive/Air Sensitive/Refrigerate | 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; 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 | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P273: Avoid release to the environment; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear pr | Acros Organics |
P phrase | P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing | Acros Organics |
R phrase | R21/22: Harmful 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. | Acros Organics |
R phrase | R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin.; R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. | Acros Organics |
R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
S phrase | S20: When using do not eat or drink. | Acros Organics |
S phrase | S20: When using do not eat or drink.; S22: Do not breathe dust.; 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 |
Hazard | XI: Irritant | Acros Organics |
Hazard | XN: Harmful | Acros Organics |
Hazard | XN: Harmful; N: Dangerous for the environment | Acros Organics |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50643-3-O | Hepatitis C Virus (cluster #3 Of 5), Other | Other | 630 | 1.09 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50643 | Z50643 | Hepatitis C Virus | 160 | 1.19 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.