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4,4'-Tolanediyl-bis(methanethiol)
SpectraBase Compound ID JW4KLb9CNxt
InChI InChI=1S/C16H14S2/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14/h3-10,17-18H,11-12H2
InChIKey QJLFBEASQSYYRI-UHFFFAOYSA-N
Mol Weight 270.41 g/mol
Molecular Formula C16H14S2
Exact Mass 270.053693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kju7lvq6JFN
Name 4,4'-Tolanediyl-bis(methanethiol)
CAS Registry Number 142421-18-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14S2
InChI InChI=1S/C16H14S2/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14/h3-10,17-18H,11-12H2
InChIKey QJLFBEASQSYYRI-UHFFFAOYSA-N
Molecular Weight 270.408 g/mol
SMILES SCc1ccc(C#Cc2ccc(CS)cc2)cc1
SPLASH splash10-0f79-0090000000-cf6fbe95022562ad529a
Source of Spectrum K-125-2535-5
Synonyms 1,2-bis(4-methylphenyl)-1,2-ethanedithione [4-(4-Mercaptomethyl-phenylethynyl)-phenyl]-methanethiol
Wiley ID 1274395