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

CAS 1000-68-6 MFCD01000686

化学结构图

1000-68-6
SMILES: CNCCSS(=O)(=O)O

化学属性

Mol. Weight171.25
Mol. FormulaC3H9NO3S2

别名和识别编码

Wiswesser Line NotationWSQS2M1
Chemical NameEthanethiol, 2-methylamino-, hydrogen sulfate (ester)
Synonym 2-Methylaminoethanethiol hydrogen sulfate (ester)
Beilstein Registry Number2241987
CAS Number1000-68-6
Chemicalbook IDCB32439645
InChIKeyFLHDCEZDRGEYQL-UHFFFAOYSA-N
PubChem Substance ID70472
InChIInChI=1S/C3H9NO3S2/c1-4-2-3-8-9(5,6)7/h4H,2-3H2,1H3,(H,5,6,7)
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安全信息

RTECSKJ2113000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 350 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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