Keyword(s): Human Metabolites
Molecule Category Free-form
UNII X2582LTR1K
EPA CompTox DTXSID90335752

Structure

InChI Key DYTKSLFUSUKZJN-UHFFFAOYSA-N
Smiles CC1C(=O)C(SS1)C
InChI
InChI=1S/C5H8OS2/c1-3-5(6)4(2)8-7-3/h3-4H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H8O1S2
Molecular Weight 148.0
AlogP 1.73
Hydrogen Bond Acceptor 3.0
Polar Surface Area 17.07
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 122152-29-8
NORMAN SUSDAT
FDA SRS X2582LTR1K