Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60156991

Structure

InChI Key CMDKYFGIJALPLS-UHFFFAOYSA-N
Smiles SC=1OC=CC1
InChI
InChI=1/C4H4OS/c6-4-2-1-3-5-4/h1-3,6H

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H4OS
Molecular Weight 100.0
AlogP 1.57
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 13.14
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 13129-35-6
NORMAN SUSDAT
PubChem 83164