| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2012 | 18 | No |
Popular Name: Ethyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate Ethyl 2-amino-4-(4-methylphenyl)…
Find On: PubMed — Wikipedia — Google
CAS Number: 15854-08-7
2-Amino-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester
Ethyl 2-amino-4-(p-tolyl)thiophene-3-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) | 3.41 | 8.16 | -9.9 | 1 | 3 | 0 | 50 | 261.346 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.41 | 8.13 | -9.27 | 1 | 3 | 0 | 50 | 261.346 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.52 | 7.76 | -9.05 | 2 | 3 | 0 | 52 | 261.346 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 105-107? | Alfa-Aesar |
| Melting_Point | 105-107° | Alfa-Aesar |
No pre-computed analogs available. Try a structural similarity search.