| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 14 | No |
Popular Name: 4-Ethyl-5-pyridin-2-yl-4H-1,2,4-triazole-3-thiol 4-Ethyl-5-pyridin-2-yl-4H-1,2,4-…
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CAS Numbers: 438231-11-9 , [438231-11-9]
3H-1,2,4-Triazole-3-thione, 4-ethyl-2,4-dihydro-5-(2-pyridinyl)- (9CI)
4-ethyl-5-(pyridin-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) | 1.52 | 6.53 | -48.16 | 0 | 4 | -1 | 44 | 205.266 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.79 | 6.5 | -10.92 | 1 | 4 | 0 | 47 | 206.274 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
