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4,5-Bis(2'-cyaoethylthio)-1,3-dithiole-2-one
SpectraBase Compound ID 6L9eceS4Cw6
InChI InChI=1S/C9H8N2OS4/c10-3-1-5-13-7-8(14-6-2-4-11)16-9(12)15-7/h1-2,5-6H2
InChIKey SIYHFUIJFJOCQE-UHFFFAOYSA-N
Mol Weight 288.4 g/mol
Molecular Formula C9H8N2OS4
Exact Mass 287.951948 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CK9irAyaxDj
Name 4,5-Bis(2'-cyaoethylthio)-1,3-dithiole-2-one
Alternate Name(s) 3-[[5-(2-cyanoethylthio)-2-oxo-1,3-dithiol-4-yl]thio]propanenitrile 3-[[5-(2-cyanoethylsulfanyl)-2-oxo-1,3-dithiol-4-yl]sulfanyl]propanenitrile 3-[[5-(2-cyanoethylsulfanyl)-2-oxidanylidene-1,3-dithiol-4-yl]sulfanyl]propanenitrile
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Formula C9H8N2OS4
InChI InChI=1S/C9H8N2OS4/c10-3-1-5-13-7-8(14-6-2-4-11)16-9(12)15-7/h1-2,5-6H2
InChIKey SIYHFUIJFJOCQE-UHFFFAOYSA-N
Molecular Weight 288.416 g/mol
SMILES C1(SC(=C(S1)SCCC#N)SCCC#N)=O
SPLASH splash10-001r-3940000000-8e13962dd96a15d1e1c6
Source of Spectrum SO-0-811-16
Wiley ID 1545147