| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 7th, 2006 | 14 | Yes |
Popular Name: 3-[(4-Methylbenzyl)thio]-1H-1,2,4-triazole 3-[(4-Methylbenzyl)thio]-1H-1,2,…
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CAS Number: 302804-66-6
3-(4-Methyl-benzylsulfanyl)-1H-[1,2,4]triazole
3-{[(4-methylphenyl)methyl]sulfanyl}-1H-1,2,4-triazole
3-{[(4-methylphenyl)methyl]sulfanyl}-1H-[1,2,4]TRIAZOLE
| 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) | 2.35 | 7.24 | -5.89 | 1 | 3 | 0 | 42 | 205.286 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.35 | 7.08 | -39.12 | 0 | 3 | -1 | 40 | 204.278 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 146 - 148 | KeyOrganics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
