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Dimethyl 2-thioxo-1,3-dithiole-4,5-dicarboxylate

View entire compound with spectra: 2 NMR, 1 FTIR, and 5 MS (GC)

Dimethyl 2-thioxo-1,3-dithiole-4,5-dicarboxylate
SpectraBase Compound ID KZOKIXNDrGM
InChI InChI=1S/C7H6O4S3/c1-10-5(8)3-4(6(9)11-2)14-7(12)13-3/h1-2H3
InChIKey UZKKFHMMXWDIPD-UHFFFAOYSA-N
Mol Weight 250.3 g/mol
Molecular Formula C7H6O4S3
Exact Mass 249.942822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5e94V56TxCW
Name 2-sulfanylidene-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester
CAS Registry Number 7396-41-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6O4S3
InChI InChI=1S/C7H6O4S3/c1-10-5(8)3-4(6(9)11-2)14-7(12)13-3/h1-2H3
InChIKey UZKKFHMMXWDIPD-UHFFFAOYSA-N
Molecular Weight 250.301 g/mol
SMILES C1(=C(SC(S1)=S)C(=O)OC)C(=O)OC
SPLASH splash10-0a6r-9100000000-01e509e9e6241d6a001b
Synonyms Dimethyl 2-thioxo-1,3-dithiole-4,5-dicarboxylate 2-Thioxo-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Dimethyl 2-sulfanylidene-1,3-dithiole-4,5-dicarboxylate
Wiley ID 1470566