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

CAS 949-96-2 MFCD N/A

化学结构图

949-96-2
SMILES: O=S(=O)(O)SCCNCc1ccccc1

化学属性

Mol. Weight247.35
Mol. FormulaC9H13NO3S2

别名和识别编码

Wiswesser Line NotationWSQS2M1R
Chemical NameEthanethiol, 2-benzylamino-, hydrogen sulfate (ester)
Synonym 2-Benzylaminoethanethiol hydrogen sulfate (ester)
Beilstein Registry Number2649201
CAS Number949-96-2
InChIKeyBDWRWXCLAKVGMM-UHFFFAOYSA-N
PubChem Substance ID70367
InChIInChI=1S/C9H13NO3S2/c11-15(12,13)14-7-6-10-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,11,12,13)
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安全信息

RTECSKJ0216000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 250 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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