| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 2nd, 2006 | 14 | No |
Popular Name: 4-amino-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol 4-amino-5-(4-bromophenyl)-4H-1,2…
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CAS Numbers: , 85106-58-7
4-Amino-5-(4-bromo-phenyl)-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) | 2.48 | 5.75 | -38.78 | 2 | 4 | -1 | 57 | 270.135 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.76 | 5.77 | -8.46 | 3 | 4 | 0 | 60 | 271.143 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 202 - 204 | Enamine Building Blocks |
| MP | 202...204 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
