Keyword(s): Drinking Water Chemicals
Molecule Category Free-form
EPA CompTox DTXSID20474926

Structure

InChI Key QWFSMJVKLCAOEB-UHFFFAOYSA-N
Smiles S1CC(CCC1)C=O
InChI
InChI=1S/C6H10OS/c7-4-6-2-1-3-8-5-6/h4,6H,1-3,5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10OS
Molecular Weight 130.05
AlogP 1.33
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 61571-06-0
NORMAN SUSDAT
PubChem 11969521
ChemSpider 10142926.0