| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 14 | No |
Popular Name: 4-Propyl-5-thien-2-yl-4H-1,2,4-triazole-3-thiol 4-Propyl-5-thien-2-yl-4H-1,2,4-t…
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CAS Numbers: 451501-84-1 , [451501-84-1]
4-propyl-5-(2-thienyl)-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) | 2.95 | 7.27 | -46.26 | 0 | 3 | -1 | 31 | 224.334 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.22 | 7.43 | -10.72 | 1 | 3 | 0 | 34 | 225.342 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
