Ethanethiol, 2-(2-ethylhexyl)amino-, hydrogen sulfate (ester)

CAS 924-26-5 MFCD00924265

化学结构图

924-26-5
SMILES: CCCCC(CC)CNCCSS(=O)(=O)O

化学属性

Mol. Weight269.46
Mol. FormulaC10H23NO3S2

别名和识别编码

Wiswesser Line NotationWSQS2M1Y4&2
Chemical NameEthanethiol, 2-(2-ethylhexyl)amino-, hydrogen sulfate (ester)
Synonym 2-(2-Ethylhexyl)aminoethanethiol hydrogen sulfate (ester)
Beilstein Registry Number2366091
CAS Number924-26-5
Chemicalbook IDCB02170828
InChIKeyWDAFRGGNLPDBNO-UHFFFAOYSA-N
PubChem Substance ID102513
InChIInChI=1S/C10H23NO3S2/c1-3-5-6-10(4-2)9-11-7-8-15-16(12,13)14/h10-11H,3-9H2,1-2H3,(H,12,13,14)
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安全信息

RTECSKJ1097000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 180 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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