| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 15 | No |
Popular Name: 4-amino-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol 4-amino-5-(4-methoxyphenyl)-4H-1…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 36209-49-1 , [36209-49-1]
4-Amino-5-(4-methoxy-phenyl)-4H-[1,2,4]triazole-3-thiol
4-amino-5-(4-methoxyphenyl)-4H-[1,2,4]TRIAZOLE-3-thiol
4H-1,2,4-triazole-3-thiol, 4-amino-5-(4-methoxyphenyl)-
| 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) | 1.00 | 4.42 | -12.89 | 3 | 5 | 0 | 69 | 222.273 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.73 | 4.26 | -45.72 | 2 | 5 | -1 | 66 | 221.265 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
