In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 27th, 2004 | 17 | No |
Popular Name: 4-Ethyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol 4-Ethyl-5-[(2-methylphenoxy)meth…
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CAS Numbers: 403990-81-8 , [403990-81-8]
4-Ethyl-5-((o-tolyloxy)methyl)-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) | 2.71 | 7.93 | -45.62 | 0 | 4 | -1 | 40 | 248.331 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.98 | 8.09 | -13.29 | 1 | 4 | 0 | 43 | 249.339 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Purity | 95% | Fluorochem |
Warnings | IRRITANT | Matrix Scientific |