| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 10 | Yes |
Popular Name: methyl 3-hydroxythiophene-2-carboxylate methyl 3-hydroxythiophene-2-carb…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 09/06/18 , 34017-27-1 , 5118-06-9 , 5118-6-9 , 6/9/5118 12:00:00 AM , [5118-06-9] , [5188-06-7]
(R)-methyl 2-amino-3-(methylthio)propanoate hydrochloride
3-Hydroxy-thiophene-2-carboxylic acid methyl ester
3-Hydroxythiophene-2-carboxylic acid methyl ester
methyl 3-hydroxy-2-thiophenecarboxylate
Methyl 3-hydroxythiophene-2-carboxylate, 97%
methyl-3-hydroxythiophene-2-carboxylate
Methyl3-Hydroxythiophene-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) | 1.38 | 1.85 | -8.9 | 1 | 3 | 0 | 47 | 158.178 | 2 | ↓ |
| Ref Reference (pH 7) | -0.10 | 3.44 | -10.11 | 0 | 3 | 0 | 43 | 158.178 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.38 | 2.73 | -50.16 | 0 | 3 | -1 | 49 | 157.17 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 107-109?/13mm | Alfa-Aesar |
| Boiling_Point | 107-109°/13mm | Alfa-Aesar |
| BP | 108°/13 Torr | Matrix Scientific |
| MP | 40° | Matrix Scientific |
| Mp [°C] | 43 | Acros Organics |
| MP | 43 - 45 | Enamine Building Blocks |
| MP | 43...45 | Enamine Building Blocks |
| Melting_Point | 44-48? | Alfa-Aesar |
| Melting_Point | 44-48° | Alfa-Aesar |
| MP | 48-51° | Matrix Scientific |
| MP | 49 - 51 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H319: Causes serious eye irritation; H315: Causes skin 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; 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 |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | 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.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.