s-Triazole-3-thiol, 5-(4-bromo-3-methyl-5-isothiazolyl)-

CAS 3683-95-2 MFCD01678611

化学结构图

3683-95-2
SMILES: Cc1nsc(-c2nnc(S)[nH]2)c1Br

化学属性

Mol. FormulaC6H5BrN4S2
Mol. Weight277.18

别名和识别编码

Chemical Name1,2,4(H)-Triazole, 3-mercapto-5-(4-bromo-3-methylisothiazol-5-yl)-
Wiswesser Line NotationT5NSJ DE E1 C- CT5NN DMJ ESH
Synonym 3-Mercapto-5-(4-bromo-3-methylisothiazol-5-yl)-1,2,4(H)-triazole s-Triazole-3-thiol, 5-(4-bromo-3-methyl-5-isothiazolyl)-
Beilstein Registry Number0985156
CAS Number3683-95-2
InChIKeyRDDNQXMMNFGSKQ-UHFFFAOYSA-N
PubChem Substance ID3037939
InChIInChI=1S/C6H5BrN4S2/c1-2-3(7)4(13-11-2)5-8-6(12)10-9-5/h1H3,(H2,8,9,10,12)
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安全信息

RTECSXZ4927500 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2710 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: 8,680,1965

系列性分类

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