| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 19 | No |
Popular Name: 4-Allyl-5-[(3,4-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol 4-Allyl-5-[(3,4-dimethylphenoxy)…
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CAS Number: 669740-12-9
4-Allyl-5-((3,4-dimethylphenoxy)methyl)-4H-1,2,4-triazole-3-thiol
5-[(3,4-dimethylphenoxy)methyl]-4-(prop-2-en-1-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) | 2.67 | 9.29 | -13.16 | 1 | 4 | 0 | 43 | 275.377 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.40 | 9.25 | -45.28 | 0 | 4 | -1 | 40 | 274.369 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.