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

CAS 953-07-1 MFCD00953071

化学结构图

953-07-1
SMILES: O=S(=O)(O)SCCNC1CCCCCCC1

化学属性

Mol. Weight267.44
Mol. FormulaC10H21NO3S2

别名和识别编码

Wiswesser Line NotationL8TJ AM2SSWQ
Chemical NameEthanethiol, 2-cyclooctylamino-, hydrogen sulfate (ester)
Synonym 2-Cyclooctylaminoethanethiol hydrogen sulfate (ester)
Beilstein Registry Number2648699
CAS Number953-07-1
Chemicalbook IDCB62350736
InChIKeyYDVWJKCVMAVQFZ-UHFFFAOYSA-N
PubChem Substance ID70375
InChIInChI=1S/C10H21NO3S2/c12-16(13,14)15-9-8-11-10-6-4-2-1-3-5-7-10/h10-11H,1-9H2,(H,12,13,14)
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安全信息

RTECSKJ0445000 
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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