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

CAS 924-21-0 MFCD N/A

化学结构图

924-21-0
SMILES: CCCCCCC[C@H](CC)NCCSS(=O)(=O)O

化学属性

Mol. Weight297.52
Mol. FormulaC12H27NO3S2

别名和识别编码

Wiswesser Line NotationWSQS2MY7&2
Chemical NameEthanethiol, 2-(3-decyl)amino-, hydrogen sulfate (ester)
Synonym 2-(3-Decyl)aminoethanethiol hydrogen sulfate (ester) Ethanethiol, 2-((1-ethyloctyl)amino)-, hydrogen sulfate (ester)
Beilstein Registry Number2370171
CAS Number924-21-0
Chemicalbook IDCB42154954
InChIKeyXQCSYUDWFUQARH-UHFFFAOYSA-N
PubChem Substance ID102512
InChIInChI=1S/C12H27NO3S2/c1-3-5-6-7-8-9-12(4-2)13-10-11-17-18(14,15)16/h12-13H,3-11H2,1-2H3,(H,14,15,16)
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安全信息

RTECSKJ0449000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 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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