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1,3-Benzenedimethanethiol

View entire compound with spectra: 2 NMR, 3 FTIR, 1 Raman, and 2 MS (GC)

1,3-Benzenedimethanethiol
SpectraBase Compound ID LpxwIPOEkF7
InChI InChI=1S/C8H10S2/c9-5-7-2-1-3-8(4-7)6-10/h1-4,9-10H,5-6H2
InChIKey JSNABGZJVWSNOB-UHFFFAOYSA-N
Mol Weight 170.29 g/mol
Molecular Formula C8H10S2
Exact Mass 170.022393 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID EpNAFOUarqi
Name 1,3-Benzenedimethanethiol
Source of Sample Aldrich
Catalog Number 306983
CAS Registry Number 41563-69-3
Classification Aromatic mercaptans and sulfides
Copyright Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H10S2
InChI InChI=1S/C8H10S2/c9-5-7-2-1-3-8(4-7)6-10/h1-4,9-10H,5-6H2
InChIKey JSNABGZJVWSNOB-UHFFFAOYSA-N
Purity 95%
Source of Spectrum Sigma-Aldrich Co. LLC.
Technique Neat
Wiley ID SIAL_FTIR_1_6409