Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 0F056KUC1H
EPA CompTox DTXSID601019927

Structure

InChI Key RJDJXOBGMMKPMH-GGWOSOGESA-N
Smiles C/C=C/S/C=C/C
InChI
InChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-6H,1-2H3/b5-3+,6-4+

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10S1
Molecular Weight 114.05
AlogP 2.79
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 65819-74-1
NORMAN SUSDAT
FDA SRS 0F056KUC1H