Ethanethiol, 2-(4-octyl)amino-, hydrogen sulfate (ester)

CAS 924-09-4 MFCD00924094

化学结构图

924-09-4
SMILES: CCCC[C@H](CCC)NCCSS(=O)(=O)O

化学属性

Mol. Weight269.46
Mol. FormulaC10H23NO3S2

别名和识别编码

Wiswesser Line NotationWSQS2MY4&3
Chemical NameEthanethiol, 2-(4-octyl)amino-, hydrogen sulfate (ester)
Synonym Ethanethiol, 2-((1-propylpentyl)amino)-, hydrogen sulfate (ester) WR 2402 2-(4-Octyl)aminoethanethiol hydrogen sulfate (ester) Thiosulfuric acid, S-(2-((1-propylpentyl)amino)ethyl) ester
Beilstein Registry Number2366080
CAS Number924-09-4
Chemicalbook IDCB02254955
InChIKeyFGTLRXFTKHKPRQ-UHFFFAOYSA-N
PubChem Substance ID102509
InChIInChI=1S/C10H23NO3S2/c1-3-5-7-10(6-4-2)11-8-9-15-16(12,13)14/h10-11H,3-9H2,1-2H3,(H,12,13,14)
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安全信息

RTECSKJ2514000
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 140 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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