| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2005 | 16 | No |
Popular Name: 4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol 4-amino-5-(4-ethoxyphenyl)-4H-1,…
Find On: PubMed — Wikipedia — Google
CAS Number: 156942-85-7
4-Amino-5-(4-ethoxy-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) | 1.38 | 5.35 | -12.65 | 3 | 5 | 0 | 69 | 236.3 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.11 | 5.19 | -45.38 | 2 | 5 | -1 | 66 | 235.292 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 208 - 212 | Enamine Building Blocks |
| MP | 209 - 211 | Enamine Building Blocks |
| MP | 209...211 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
