| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 28th, 2008 | 13 | No |
Popular Name: 5-(4-Bromophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione 5-(4-Bromophenyl)-2,4-dihydro-3H…
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CAS Number: 39631-33-9
3H-1,2,4-triazole-3-thione, 5-(4-bromophenyl)-2,4-dihydro-
5-(4-Bromo-phenyl)-4H-[1,2,4]triazole-3-thiol
5-(4-bromophenyl)-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) | 3.03 | 5.96 | -41.05 | 1 | 3 | -1 | 42 | 255.12 | 1 | ↓ |
| Mid Mid (pH 6-8) | 3.03 | 6.07 | -26.49 | 2 | 3 | 0 | 43 | 256.128 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 225 - 227 | Enamine Building Blocks |
| MP | 225...227 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.