| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 28th, 2008 | 12 | No |
Popular Name: 4-amino-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol 4-amino-5-(2-thienyl)-4H-1,2,4-t…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 61019-27-0 , [61019-27-0]
4-amino-5-(2-thienyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-amino-5-(2-thienyl)-4H-1,2,4-triazol-3-yl hydrosulfide
4-amino-5-(2-thienyl)-4H-1,2,4-triazol-3-ylhydrosulfide
4-Amino-5-(thien-2-yl)-4H-1,2,4-triazole-3-thiol
4-Amino-5-(thien-2-yl)-4H-[1,2,4]TRIAZOLE-3-thiol
4-amino-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol
4-amino-5-(thiophen-2-yl)-4H-[1,2,4]TRIAZOLE-3-thiol
4-amino-5-thien-2-yl-4H-1,2,4-triazole-3-thiol
4-Amino-5-thiophen-2-yl-4 H -[1,2,4]triazole-3-thi
4-Amino-5-thiophen-2-yl-4 H -[1,2,4]triazole-3-thiol
4-Amino-5-thiophen-2-yl-4H-[1,2,4]triazole-3-thiol
| 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) | 1.46 | 4.02 | -45.31 | 2 | 4 | -1 | 57 | 197.268 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.73 | 4.18 | -11.81 | 3 | 4 | 0 | 60 | 198.276 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 216 - 220 | Enamine Building Blocks |
| MP | 217 - 219 | Enamine Building Blocks |
| MP | 217...219 | Enamine Building Blocks |
| melting_point | 219 - 220 | KeyOrganics |
| melting_point | 219 - 221 | KeyOrganics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_PATENT_ID | WO2000010564A1 | IBM Patent Data |
