1H-1,2,4-Triazole-3-thiol, 5-(4-amino-2-hydroxyphenyl)-
CAS 3458-02-4 MFCD01678526
化学结构图
SMILES: Nc1ccc(-c2nc(S)n[nH]2)c(O)c1
化学属性
| Mol. Formula | C8H8N4OS |
|---|---|
| Mol. Weight | 208.26 |
别名和识别编码
| Chemical Name | 1H-1,2,4-Triazole-3-thiol, 5-(4-amino-2-hydroxyphenyl)- |
|---|---|
| Wiswesser Line Notation | T5MN DNJ CSH ER DZ BQ |
| Synonym | 5-(4-Amino-2-hydroxyphenyl)-1H-1,2,4-triazole-3-thiol Phenol, 5-amino-2-(5-mercapto-s-triazol-3-yl)- |
| Beilstein Registry Number | 2976102 |
| CAS Number | 3458-02-4 |
| InChIKey | CHYXLBDFWMCOCK-UHFFFAOYSA-N |
| PubChem Substance ID | 135755571 |
| InChI | InChI=1S/C8H8N4OS/c9-4-1-2-5(6(13)3-4)7-10-8(14)12-11-7/h1-3,13H,9H2,(H2,10,11,12,14) |
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安全信息
TYPE OF TEST : LD05 - Lethal Dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 790 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
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