| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 20 | No |
Popular Name: 4-Benzyl-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol 4-Benzyl-5-(4-chlorophenyl)-4H-1…
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 23282-92-0
4-Benzyl-5-(4-chloro-phenyl)-4H-[1,2,4]triazole-3-thiol
4-benzyl-5-(4-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
4H-1,2,4-triazole-3-thiol, 5-(4-chlorophenyl)-4-(phenylmethyl)-
4H-1,2,4-triazole-3-thiol, 5-(4-chlorophenyl)-4-(phenylmethyl)-, sodium salt
sodium 4-benzyl-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiolate
| 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) | 4.56 | 11.01 | -44.92 | 0 | 3 | -1 | 31 | 300.794 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.83 | 10.93 | -9.65 | 1 | 3 | 0 | 34 | 301.802 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
