Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 783KQO0LRS
EPA CompTox DTXSID80177345

Structure

InChI Key FAYLFGHUYPPDPQ-UHFFFAOYSA-N
Smiles CC1=C(C)SCCS1
InChI
InChI=1S/C6H10S2/c1-5-6(2)8-4-3-7-5/h3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10S2
Molecular Weight 146.02
AlogP 2.72
Hydrogen Bond Acceptor 2.0
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 22796-26-5
NORMAN SUSDAT
FDA SRS 783KQO0LRS
PubChem 89837
ChemSpider 81090.0