| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2008 | 16 | Yes |
Popular Name: [(5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid [(5-phenyl-4H-1,2,4-triazol-3-yl…
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CAS Numbers: , 58755-01-4
(5-Phenyl-4 H -[1,2,4]triazol-3-ylsulfanyl)-acetic
(5-Phenyl-4 H -[1,2,4]triazol-3-ylsulfanyl)-acetic acid
(5-Phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid
(5-phenyl-4h-[1,2,4]triazol-3-ylsulfanyl)-aceticacid
2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
| 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) | 1.67 | 6.43 | -42.65 | 1 | 5 | -1 | 82 | 234.26 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.67 | 6.23 | -104.59 | 0 | 5 | -2 | 80 | 233.252 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 172-174° | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
