| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2008 | 15 | No |
Popular Name: 4-Allyl-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol 4-Allyl-5-pyridin-3-yl-4H-[1,2,4…
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CAS Numbers: 80570-89-4 , [80570-89-4]
4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
4-Allyl-5-(3-pyridyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-Allyl-5-pyridin-3-yl-2,4-dihydro-[1,2,4]triazole-3-thione
| 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) | 1.86 | 6.22 | -45.9 | 0 | 4 | -1 | 44 | 217.277 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.14 | 6.16 | -12.11 | 1 | 4 | 0 | 47 | 218.285 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Warnings | IRRITANT | Matrix Scientific |
