Dataset

mass spectrometry (MS)

Chemical Information

InChI	InChI=1S/C5H6O3S2/c1-8-10(6,7)5-3-2-4-9-5/h2-4H,1H3
SMILES	COS(=O)(=O)c1cccs1
InChI Key	XZGDHSXWLNUOBF-UHFFFAOYSA-N
Exact Mass	178.229 g/mol

Data and Resources

• mass spectrometry (MS)HTML
  Go to source

• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XZGDHSXWLNUOBF-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/XZGDHSXWLNUOBF-UHFFFAOYSA-N/CHMO0000470
Version
Author	Georg Manolikakes
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-12-17
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
9491112	surechembl
56986285	pubchem
The data in this table is sourced from UniChem at EBI.