Keyword(s): Natural Toxins
Molecule Category Free-form
UNII 94Z73U61UH
EPA CompTox DTXSID50954029

Structure

InChI Key BAZSXBOAXJLRNH-UHFFFAOYSA-N
Smiles CCC=S=O
InChI
InChI=1S/C3H6OS/c1-2-3-5-4/h3H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H6OS
Molecular Weight 90.01
AlogP 0.41
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 32157-29-2
NORMAN SUSDAT
FDA SRS 94Z73U61UH
PubChem 441491
ChemSpider 390214.0