| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2008 | 13 | No |
Popular Name: 5-o-Tolyl-4H-[1,2,4]triazole-3-thiol 5-o-Tolyl-4H-[1,2,4]triazole-3-t…
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 54294-18-7
4H-1,2,4-triazole-3-thiol, 5-(2-methylphenyl)-
5-(2-methylphenyl)-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) | 2.62 | 6.08 | -44.1 | 1 | 3 | -1 | 42 | 190.251 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.62 | 6.08 | -22.97 | 2 | 3 | 0 | 43 | 191.259 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
