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2,3-Bis(2-cyanoethylthio)-6,7-bis(methylthiomethyl)tetrathiafulvalene
SpectraBase Compound ID BTy9xxfMVLI
InChI InChI=1S/C16H18N2S8/c1-19-9-11-12(10-20-2)24-15(23-11)16-25-13(21-7-3-5-17)14(26-16)22-8-4-6-18/h3-4,7-10H2,1-2H3
InChIKey CQMPWLYSVOVPGU-UHFFFAOYSA-N
Mol Weight 494.8 g/mol
Molecular Formula C16H18N2S8
Exact Mass 493.923568 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F5VD3lSdCDh
Name 2,3-Bis(2-cyanoethylthio)-6,7-bis(methylthiomethyl)tetrathiafulvalene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2S8
InChI InChI=1S/C16H18N2S8/c1-19-9-11-12(10-20-2)24-15(23-11)16-25-13(21-7-3-5-17)14(26-16)22-8-4-6-18/h3-4,7-10H2,1-2H3
InChIKey CQMPWLYSVOVPGU-UHFFFAOYSA-N
Molecular Weight 494.814 g/mol
SMILES C1(=C2SC(CSC)=C(S2)CSC)SC(SCCC#N)=C(S1)SCCC#N
SPLASH splash10-0f6t-9000400000-515dd1b91772f168b3ea
Source of Spectrum SO-0-807-8
Synonyms 3-[(2-{4,5-bis[(methylsulfanyl)methyl]-2H-1,3-dithiol-2-ylidene}-5-[(2-cyanoethyl)sulfanyl]-2H-1,3-dithiol-4-yl)sulfanyl]propanenitrile 4,5-Bis(2-cyanoethylthio)-4',5'-bis(methylthiomethyl)tetrathiafulvalene
Wiley ID 876670