Ethanethiol, 2-hexadecylamino-, hydrogen sulfate (ester)

CAS 929-45-3 MFCD00929453

化学结构图

929-45-3
SMILES: CCCCCCCCCCCCCCCCNCCSS(=O)(=O)O

化学属性

Mol. Weight381.70
Mol. FormulaC18H39NO3S2

别名和识别编码

Wiswesser Line NotationWSQS2MY1&14
Chemical NameEthanethiol, 2-hexadecylamino-, hydrogen sulfate (ester)
Synonym 2-Hexadecylaminoethanethiol hydrogen sulfate (ester)
Beilstein Registry Number2382158
CAS Number929-45-3
Chemicalbook IDCB82157115
InChIKeyNDCVPWSONNZYKP-UHFFFAOYSA-N
PubChem Substance ID70243
InChIInChI=1S/C18H39NO3S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-18-23-24(20,21)22/h19H,2-18H2,1H3,(H,20,21,22)
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安全信息

RTECSKJ1680000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 150 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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