| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 13 | No |
Popular Name: 5-Methyl-4-phenyl-4H-1,2,4-triazole-3-thiol 5-Methyl-4-phenyl-4H-1,2,4-triaz…
Find On: PubMed — Wikipedia — Google
CAS Number: 6232-82-2
5-methyl-4-phenyl-4H-1,2,4-triazole-3-thiol,80<90%
| 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) | 0.81 | 7.35 | -11.75 | 1 | 3 | 0 | 34 | 191.259 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.54 | 7.48 | -48.86 | 0 | 3 | -1 | 31 | 190.251 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 224 - 226 | Enamine Building Blocks |
| MP | 224...226 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Warnings | IRRITANT | Matrix Scientific |
