| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 28th, 2008 | 17 | No |
Popular Name: 4-Amino-5-(4-tert-butyl-phenyl)-4H-[1,2,4]triazole-3-thiol 4-Amino-5-(4-tert-butyl-phenyl)-…
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CAS Numbers: , 349116-17-2
4-Amino-5-(4-tert-butylphenyl)-3-mercapto-4H-1,2,4-triazole
4-amino-5-(4-tert-butylphenyl)-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) | 3.38 | 7.28 | -45.66 | 2 | 4 | -1 | 57 | 247.347 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.65 | 7.44 | -11.63 | 3 | 4 | 0 | 60 | 248.355 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 105 - 106 | Enamine Building Blocks |
| MP | 105...106 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
