Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID0067210

Structure

InChI Key YIMCEGNLWJUWNH-UHFFFAOYSA-N
Smiles O=S1(=O)CCCS(=O)(=O)C1
InChI
InChI=1S/C4H8O4S2/c5-9(6)2-1-3-10(7,8)4-9/h1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8O4S2
Molecular Weight 183.99
AlogP -0.82
Hydrogen Bond Acceptor 4.0
Polar Surface Area 68.28
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 26413-18-3
NORMAN SUSDAT
PubChem 117794
ChemSpider 105266.0