| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 29th, 2008 | 12 | No |
Popular Name: 3-Mercapto-5-phenyl-1,2,4-triazole 3-Mercapto-5-phenyl-1,2,4-triazole
Find On: PubMed — Wikipedia — Google
CAS Number: 3414-94-6
3-Phenyl-1,2,4-triazole-5-thiol hydrate
3-Phenyl-1,2,4-triazole-5-thiol hydrate, 98%
5-cyclohexyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
| 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) | 2.10 | 5.52 | -41.74 | 1 | 3 | -1 | 42 | 182.272 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.10 | 5.55 | -22.88 | 2 | 3 | 0 | 43 | 183.28 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 253-258? | Alfa-Aesar |
| Melting_Point | 253-258° | Alfa-Aesar |
