4-(5-sulfanyl-4H-1,2,4-triazol-3-yl)phenol 4-(5-巯基-4H-1,2,4-三唑-3-基)苯酚
CAS 3414-96-8 MFCD01750667
化学结构图
SMILES: Oc1ccc(-c2nc(=S)[nH][nH]2)cc1
化学属性
| Mol. Formula | C8H7N3OS |
|---|---|
| Mol. Weight | 193.23 |
别名和识别编码
| Chemical Name | 4-(5-Mercapto-4H-1,2,4-triazol-3-yl)phenol |
|---|---|
| Wiswesser Line Notation | T5MN DNJ CSH ER DQ &QH |
| Synonym | 4-(5-Mercapto-4H-1,2,4-triazol-3-yl)phenol {LY} 4-(5-Mercapto-4H-1,2,4-triazol-3-yl)phenol Phenol, 4-(3-mercapto-5-(1H-1,2,4-triazolyl))-, hydrate {} {LY} 4-(5-Mercapto-4H-1,2,4-triazol-3-yl)phenol {} {} {LY} 4-(5-Mercapto-4H-1,2,4-triazol-3-yl)phenol {} {} {} {LY} 4-(5-Mercapto-4H-1,2,4-triazol-3-yl)phenol {} {} {} {} {LY} 4-(5-Mercapto-4H-1,2,4-triazol-3-yl)phenol {} {} {} {} {} {LY} 4-(5-Mercapto-4H-1,2,4-triazol-3-yl)phenol {} {} {} {} {} {} {LY} 4-(5-Mercapto-4H-1,2,4-triazol-3-yl)phenol {} {} {} {} {} {} {} {LY} 4-(5-Mercapto-4H-1,2,4-triazol-3-yl)phenol {} {} {} {} {} {} {} {} {LY} 4-(5-Mercapto-4H-1,2,4-triazol-3-yl)phenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(5-Mercapto-4H-1,2,4-triazol-3-yl)phenol {} {} {} {} {} {} {} {} {} {} {LY} 4-(5-Mercapto-4H-1,2,4-triazol-3-yl)phenol {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(5-Mercapto-4H-1,2,4-triazol-3-yl)phenol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(5-Mercapto-4H-1,2,4-t |
| CAS Number | 3414-96-8 |
| LabNetwork Molecule ID | LN00177269 |
| InChIKey | GHQAENHMNKYJGV-UHFFFAOYSA-N |
| Chemical Name Translation | 4-(5-巯基-4H-1,2,4-三唑-3-基)苯酚 |
| PubChem Substance ID | 689100 |
| InChI | InChI=1S/C8H7N3OS/c12-6-3-1-5(2-4-6)7-9-8(13)11-10-7/h1-4,12H,(H2,9,10,11,13) |
| MDL Number | MFCD01930057 |
| Canonical SMILES | OC1=CC=C(C=C1)C1=NNC(=S)N1 |
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安全信息
TYPE OF TEST : LD05 - Lethal Dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 38 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 9,42,1966
