1H-1,2,4-Triazole-3-thiol, 5-(4-amino-2-hydroxyphenyl)-

CAS 3458-02-4 MFCD01678526

化学结构图

3458-02-4
SMILES: Nc1ccc(-c2nc(S)n[nH]2)c(O)c1

化学属性

Mol. FormulaC8H8N4OS
Mol. Weight208.26

别名和识别编码

Chemical Name1H-1,2,4-Triazole-3-thiol, 5-(4-amino-2-hydroxyphenyl)-
Wiswesser Line NotationT5MN 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 Number2976102
CAS Number3458-02-4
InChIKeyCHYXLBDFWMCOCK-UHFFFAOYSA-N
PubChem Substance ID135755571
InChIInChI=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

RTECSXZ5268000
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

系列性分类


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