| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 12 | No |
Popular Name: 5-tert-butyl-4-ethyl-4h-1,2,4-triazole-3-thiol 5-tert-butyl-4-ethyl-4h-1,2,4-tr…
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CAS Numbers: , 401630-14-6
| 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) | 1.63 | 6.03 | -10.4 | 1 | 3 | 0 | 34 | 185.296 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.36 | 6.1 | -46.92 | 0 | 3 | -1 | 31 | 184.288 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
