| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 8 | No |
Popular Name: 4,5-Dimethyl-4H-1,2,4-triazole-3-thiol 4,5-Dimethyl-4H-1,2,4-triazole-3…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 38942-50-6 , [38942-50-6]
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4,5-dimethyl- (9CI)
4,5-Dimethyl-4h-(1,2,4)triazole-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) | -0.47 | 3.98 | -13.63 | 1 | 3 | 0 | 34 | 129.188 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.26 | 3.82 | -44.88 | 0 | 3 | -1 | 31 | 128.18 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 112 - 115 | Enamine Building Blocks |
| MP | 112...115 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
