| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 18 | No |
Popular Name: 5-[(3,4-Dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol 5-[(3,4-Dimethylphenoxy)methyl]-…
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CAS Number: 588673-94-3
5-((3,4-Dimethylphenoxy)methyl)-4-ethyl-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) | 3.13 | 8.65 | -46.42 | 0 | 4 | -1 | 40 | 262.358 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.40 | 8.74 | -14.29 | 1 | 4 | 0 | 43 | 263.366 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.