| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2008 | 13 | No |
Popular Name: 4-methyl-5-phenyl-4H-1,2,4-triazole-3-thiol 4-methyl-5-phenyl-4H-1,2,4-triaz…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 38942-51-7 , [38942-51-7]
4-methyl-5-phenyl-4h-1,2,4triazole-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) | 1.56 | 6.63 | -10.78 | 1 | 3 | 0 | 34 | 191.259 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.29 | 6.72 | -46.57 | 0 | 3 | -1 | 31 | 190.251 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 165 - 167 | Enamine Building Blocks |
| MP | 165...167 | Enamine Building Blocks |
| mp | 187 | MolMall (formerly Molecular Diversity Preservation International) |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.