| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 12 | No |
Popular Name: 5-phenyl-4H-1,2,4-triazole-3-thiol 5-phenyl-4H-1,2,4-triazole-3-thiol
Find On: PubMed — Wikipedia — Google
CAS Number: 3414-94-6
3-Mercapto-5-phenyl-1,2,4-triazole
3-Phenyl-1,2,4-triazole-5-thiol hydrate
3-Phenyl-1,2,4-triazole-5-thiol hydrate, 98%
3-phenyl-1H-1,2,4-triazol-5-ylhydrosulfide
3-phenyl-1H-1,2,4-triazole-5-thiol
4H-1,2,4-triazole-3-thiol, 5-phenyl-
5-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide
| 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) | 2.22 | 5.42 | -43.5 | 1 | 3 | -1 | 42 | 176.224 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.22 | 5.45 | -25.36 | 2 | 3 | 0 | 43 | 177.232 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 253-258? | Alfa-Aesar |
| Melting_Point | 253-258° | Alfa-Aesar |
| MP | 258-261° | Oakwood Chemical |
| Purity | 98% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.