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

CAS 929-41-9 MFCD00929419

化学结构图

929-41-9
SMILES: CCCCCCCCCCCCCNCCSS(=O)(=O)O

化学属性

Mol. Weight339.61
Mol. FormulaC15H33NO3S2

别名和识别编码

Wiswesser Line NotationWSQS2M13
Chemical NameEthanethiol, 2-tridecylamino-, hydrogen sulfate (ester)
Synonym Thiosulfuric acid, S-(2-(tridecylamino)ethyl) ester WR 2236 2-Tridecylaminoethanethiol hydrogen sulfate (ester)
Beilstein Registry Number2376760
CAS Number929-41-9
Chemicalbook IDCB42411736
InChIKeyMDCFFJPIOHVMNO-UHFFFAOYSA-N
PubChem Substance ID70240
InChIInChI=1S/C15H33NO3S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-15-20-21(17,18)19/h16H,2-15H2,1H3,(H,17,18,19)
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安全信息

RTECSKJ2595000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 15 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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