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

*Links on SpectraBase are not permalinks.
2-Thiabicyclo(2.2.2)octane
SpectraBase Compound ID KOreOctcYxM
InChI InChI=1S/C7H12S/c1-3-7-4-2-6(1)5-8-7/h6-7H,1-5H2/t6-,7+
InChIKey GMOFDANHMUHNBP-UHFFFAOYSA-N
Mol Weight 128.23 g/mol
Molecular Formula C7H12S
Exact Mass 128.065972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID LHJdSDym05z
Name 2-Thiabicyclo[2.2.2]octane
CAS Registry Number 280-41-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12S
InChI InChI=1S/C7H12S/c1-3-7-4-2-6(1)5-8-7/h6-7H,1-5H2/t6-,7+
InChIKey GMOFDANHMUHNBP-UHFFFAOYSA-N
Molecular Weight 128.233 g/mol
SMILES C1[C@]2(CC[C@@](C1)(SC2)[H])[H]
SPLASH splash10-004v-9000000000-efb2bbfd0aecb941f849
Source of Spectrum AA-0-556-1
Synonyms 3-Thiabicyclo[2.2.2]octane 2-Thiabicyclo(2.2.2)octane
Wiley ID 5298