Keyword(s): Human Metabolites
Molecule Category Free-form
UNII VM35UX3WZE
EPA CompTox DTXSID60334131

Structure

InChI Key WGQJSONNMGREEA-UHFFFAOYSA-N
Smiles CCSCC1=CC=CO1
InChI
InChI=1S/C7H10OS/c1-2-9-6-7-4-3-5-8-7/h3-5H,2,6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H10O1S1
Molecular Weight 142.05
AlogP 2.53
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 13.14
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 2024-70-6
NORMAN SUSDAT
FDA SRS VM35UX3WZE