| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 14 | No |
Popular Name: 4-Allyl-5-thien-2-yl-4H-1,2,4-triazole-3-thiol 4-Allyl-5-thien-2-yl-4H-1,2,4-tr…
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CAS Number: 187795-50-2
4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol
4-allyl-5-(2-thienyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-allyl-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol
4-Allyl-5-(2-thiophene)-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol
4-allyl-5-thien-2-yl-2,4-dihydro-3H-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) | 2.72 | 7.12 | -44.81 | 0 | 3 | -1 | 31 | 222.318 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.99 | 7.27 | -10.25 | 1 | 3 | 0 | 34 | 223.326 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
