Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30886596

Structure

InChI Key KNXIMYUHWUOWMW-UHFFFAOYSA-N
Smiles O=S(S(=O)CCCCCC)CCCCCC
InChI
InChI=1/C12H26O2S2/c1-3-5-7-9-11-15(13)16(14)12-10-8-6-4-2/h3-12H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H26O2S2
Molecular Weight 266.14
AlogP 3.56
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 11.0
Polar Surface Area 34.14
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 63450-70-4
NORMAN SUSDAT
PubChem 113213