| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 26th, 2004 | 13 | No |
Popular Name: 4-Ethyl-5-thien-2-yl-4H-1,2,4-triazole-3-thiol 4-Ethyl-5-thien-2-yl-4H-1,2,4-tr…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 337473-17-3 , [337473-17-3]
4-ethyl-5-(2-thienyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-ethyl-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol
4-ethyl-5-(thiophen-2-yl)-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) | 2.45 | 6.52 | -45.83 | 0 | 3 | -1 | 31 | 210.307 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.72 | 6.68 | -10.97 | 1 | 3 | 0 | 34 | 211.315 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 103 - 105 | Enamine Building Blocks |
| MP | 103...105 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
