| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2008 | 12 | No |
Popular Name: 4-allyl-5-cyclopropyl-4H-1,2,4-triazole-3-thiol 4-allyl-5-cyclopropyl-4H-1,2,4-t…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 443917-88-2 , [443917-88-2]
| 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) | 0.54 | 6.86 | -11.49 | 1 | 3 | 0 | 34 | 181.264 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.27 | 6.98 | -48.45 | 0 | 3 | -1 | 31 | 180.256 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
