Ethanethiol, 2-((3-phenylpropyl)amino)-, hydrogen sulfate (ester)

CAS 956-74-1 MFCD00956741

化学结构图

956-74-1
SMILES: O=S(=O)(O)SCCNCCCc1ccccc1

化学属性

Mol. Weight275.41
Mol. FormulaC11H17NO3S2

别名和识别编码

Wiswesser Line NotationWSQS2M3R
Chemical NameEthanethiol, 2-((3-phenylpropyl)amino)-, hydrogen sulfate (ester)
Synonym 2-((3-Phenylpropyl)amino)ethanethiol hydrogen sulfate (ester)
Beilstein Registry Number2657000
CAS Number956-74-1
InChIKeyXENUZQKXLSDMDY-UHFFFAOYSA-N
Chemicalbook IDCB62410733
PubChem Substance ID70392
InChIInChI=1S/C11H17NO3S2/c13-17(14,15)16-10-9-12-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,13,14,15)
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安全信息

RTECSKJ2536000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 125 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: 13,251,1970

系列性分类

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