Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00866022

Structure

InChI Key IBSLHWQWKUNIJE-UHFFFAOYSA-N
Smiles O=CC(=CC)CSC
InChI
InChI=1/C6H10OS/c1-3-6(4-7)5-8-2/h3-4H,5H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10OS
Molecular Weight 130.05
AlogP 1.49
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 17.07
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 40878-72-6
NORMAN SUSDAT
PubChem 62912