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

CAS 3770-46-5 MFCD03770465

化学结构图

3770-46-5
SMILES: S=c1nc(-c2ccnc3ccccc23)[nH][nH]1

化学属性

Mol. Weight228.29
Mol. FormulaC11H8N4S

别名和识别编码

Chemical Name1H-1,2,4-Triazole-3-thiol, 5-(4-quinolyl)-
Chemicalbook IDCB82370185
Wiswesser Line NotationT66 BNJ E- ET5MN DNJ CSH
Synonym Quinoline, 4-(3-mercapto-1H-1,2,4-triazol-5-yl)- 5-(4-Quinolyl)-1H-1,2,4-triazole-3-thiol
CAS Number3770-46-5
InChIKeyOXHJNEQUQRCQLW-UHFFFAOYSA-N
PubChem Substance ID3007103
InChIInChI=1S/C11H8N4S/c16-11-13-10(14-15-11)8-5-6-12-9-4-2-1-3-7(8)9/h1-6H,(H2,13,14,15,16)
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安全信息

RTECSXZ5355900 
TYPE OF TEST            : LD05 - Lethal Dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 560 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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