For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-Methyl-1,3-benzodithiole-2-thione
SpectraBase Compound ID 9LOMVdj2L3N
InChI InChI=1S/C8H6S3/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3
InChIKey AAGYEYOKSMNSOC-UHFFFAOYSA-N
Mol Weight 198.32 g/mol
Molecular Formula C8H6S3
Exact Mass 197.963164 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JTkAeq4Jrd2
Name 5-Methyl-1,3-benzodithiole-2-thione
CAS Registry Number 54199-61-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H6S3
InChI InChI=1S/C8H6S3/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3
InChIKey AAGYEYOKSMNSOC-UHFFFAOYSA-N
Literature Reference K. Smith, C.M. Lindsay, G.J. Pritchard, J. Am. Chem. Soc. 111, 665 (1989).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3