Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7YFV4WN79I
EPA CompTox DTXSID80244147

Structure

InChI Key RYIRMSRYCSMGJA-UHFFFAOYSA-N
Smiles O=[S]1(=O)C[S](=O)(=O)OCCO1
InChI
InChI=1S/C3H6O6S2/c4-10(5)3-11(6,7)9-2-1-8-10/h1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H6O6S2
Molecular Weight 201.96
AlogP -1.35
Hydrogen Bond Acceptor 6.0
Polar Surface Area 86.74
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 99591-73-8
NORMAN SUSDAT
FDA SRS 7YFV4WN79I