| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 14 | Yes |
Popular Name: Methyl 3-aminobenzo[b]thiophene-2-carboxylate Methyl 3-aminobenzo[b]thiophene-…
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 35212-85-2 , [35212-85-2]
3-Aminobenzo[b]thiophene-2-carboxylic acid methyl ester
benzo[b]thiophene-2-carboxylic acid, 3-amino-, methyl ester
methyl 3-amino-1-benzothiophene-2-carboxylate
Methyl 3-aminobenzo[b]thiophene-2-carboxylate, 97%
methyl-3-AMINOBENZO[B]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) | 2.39 | 4.71 | -8.34 | 2 | 3 | 0 | 52 | 207.254 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 101 - 105 | Enamine Building Blocks |
| MP | 102 - 104 | Enamine Building Blocks |
| MP | 102...104 | Enamine Building Blocks |
| Melting_Point | 107-108? | Alfa-Aesar |
| MP | 107-108° | Fluorochem |
| MP | 109 - 111 | Enamine Building Blocks |
| melting_point | 110 - 111 | KeyOrganics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| 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 wi | 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. | 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 |
| Hazard | XN: Harmful | Acros Organics |
