Keyword(s): Human Metabolites
Molecule Category Free-form
UNII D5HZ9XV5EI
EPA CompTox DTXSID60723960

Structure

InChI Key KBXOGESWPIVMNJ-UHFFFAOYSA-N
Smiles CC=CSSCC=C
InChI
InChI=1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-4,6H,1,5H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10S2
Molecular Weight 146.02
AlogP 3.09
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 33368-82-0
NORMAN SUSDAT
FDA SRS D5HZ9XV5EI