| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2004 | 14 | No |
Popular Name: 4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol 4-amino-5-(2-chlorophenyl)-4H-1,…
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CAS Numbers: , 13229-02-2 , [13229-02-2]
4-AMINO-3-MERCAPTO-5- -[1,2,4-]TRIAZOLE
4-Amino-3-Mercapto-5-(2-Chlorophenyl)-[1,2,4-]Triazole
4-Amino-5-(2-chloro-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) | 2.30 | 5.48 | -48.2 | 2 | 4 | -1 | 57 | 225.684 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 110 - 113 | Enamine Building Blocks |
| MP | 110...113 | Enamine Building Blocks |
| MP | 150-152o C | Indofine |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| SOLUBILITY | Soluble in Chloroform-methanol | Indofine |
