In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2006 | 14 | No |
Popular Name: 4-amino-5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol 4-amino-5-(2-methylphenyl)-4H-1,…
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CAS Numbers: 87239-95-0 , [87239-95-0]
4-AMINO-5-(2-METHYLPHENYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE
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) | 2.08 | 6.09 | -47.37 | 2 | 4 | -1 | 57 | 205.266 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 199 - 201 | Enamine Building Blocks |
MP | 199...201 | Enamine Building Blocks |
ALOGPS_SOLUBILITY | 2.96e-01 g/l | DrugBank-experimental |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |