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

CAS 1190-89-2 MFCD N/A

化学结构图

1190-89-2
SMILES: CCCCCNCCSS(=O)(=O)O

化学属性

Mol. Weight227.37
Mol. FormulaC7H17NO3S2

别名和识别编码

Wiswesser Line NotationWSQS2MY3&1
Chemical NameEthanethiol, 2-pentylamino-, hydrogen sulfate (ester)
Synonym 2-Pentylaminoethanethiol hydrogen sulfate (ester)
Beilstein Registry Number2413975
CAS Number1190-89-2
Chemicalbook IDCB72372814
InChIKeyHPEMBKNBNFNSLU-UHFFFAOYSA-N
PubChem Substance ID70927
InChIInChI=1S/C7H17NO3S2/c1-2-3-4-5-8-6-7-12-13(9,10)11/h8H,2-7H2,1H3,(H,9,10,11)
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安全信息

RTECSKJ2520000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 200 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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