Keyword(s): Human Metabolites
Molecule Category Free-form
UNII HLV651AHBB
EPA CompTox DTXSID0024052

Structure

InChI Key PHVNLLCAQHGNKU-UHFFFAOYSA-N
Smiles CC1=C(C)S(=O)(=O)CCS1(=O)=O
InChI
InChI=1S/C6H10O4S2/c1-5-6(2)12(9,10)4-3-11(5,7)8/h3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10O4S2
Molecular Weight 210.0
AlogP 0.08
Hydrogen Bond Acceptor 4.0
Polar Surface Area 68.28
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 55290-64-7
NORMAN SUSDAT
FDA SRS HLV651AHBB
PubChem 41385
ChemSpider 37765.0