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

CAS 3414-97-9 MFCD01678553

化学结构图

3414-97-9
SMILES: NS(=O)(=O)c1ccc(-c2nc(S)n[nH]2)cc1

化学属性

Mol. FormulaC8H8N4O2S2
Mol. Weight256.32

别名和识别编码

Chemical Name1H-1,2,4-Triazole-3-thiol, 5-(p-sulfamoylphenyl)-
Wiswesser Line NotationT5MN DNJ CSH ER DSZW
Synonym Benzenesulfonamide, p-(5-mercapto-s-triazol-3-yl)- 5-(p-Sulfamoylphenyl)-1H-1,2,4-triazole-3-thiol
Beilstein Registry Number2987760
CAS Number3414-97-9
InChIKeyYLXGKDFREFSALU-UHFFFAOYSA-N
PubChem Substance ID3037991
InChIInChI=1S/C8H8N4O2S2/c9-16(13,14)6-3-1-5(2-4-6)7-10-8(15)12-11-7/h1-4H,(H2,9,13,14)(H2,10,11,12,15)
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安全信息

RTECSXZ5358000
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 430 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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