| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 2nd, 2006 | 12 | No |
Popular Name: 5-Isopropyl-4-propyl-4H-1,2,4-triazole-3-thiol 5-Isopropyl-4-propyl-4H-1,2,4-tr…
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CAS Numbers: 603981-94-8 , [603981-94-8]
5-(propan-2-yl)-4-propyl-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) | 1.47 | 6.79 | -10.74 | 1 | 3 | 0 | 34 | 185.296 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.20 | 6.74 | -46.52 | 0 | 3 | -1 | 31 | 184.288 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
