Thioacetic acid, S-(2-phthalimidoethyl) ester

CAS 1084-55-5 MFCD01084555

化学结构图

1084-55-5
SMILES: CC(=O)SCCN1C(=O)c2ccccc2C1=O

化学属性

Mol. Weight249.30
Mol. FormulaC12H11NO3S

别名和识别编码

Wiswesser Line NotationT56 BVNVJ C2SV1
Chemical NameEthanethiol, 2-phthalimido-, acetate (ester)
Synonym Thioacetic acid, S-(2-phthalimidoethyl) ester N-((2-Acetylthio)ethyl)phthalimide Acetic acid, thio-, S-(2-phthalimidoethyl) ester Phthalimide, N-((2-acetylthio)ethyl)-
Beilstein Registry Number1468609
CAS Number1084-55-5
Chemicalbook IDCB62162573
InChIKeyVPXAKDDAXOLZDV-UHFFFAOYSA-N
PubChem Substance ID120998
InChIInChI=1S/C12H11NO3S/c1-8(14)17-7-6-13-11(15)9-4-2-3-5-10(9)12(13)16/h2-5H,6-7H2,1H3
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安全信息

RTECSKJ2538600 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 680 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: 14,345,1971

系列性分类

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