Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10884792

Structure

InChI Key QIPYUDGFTOQZHX-UHFFFAOYSA-N
Smiles OCC(O)CSCCCCCCCCCCCC
InChI
InChI=1/C15H32O2S/c1-2-3-4-5-6-7-8-9-10-11-12-18-14-15(17)13-16/h15-17H,2-14H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H32O2S
Molecular Weight 276.21
AlogP 3.99
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 14.0
Polar Surface Area 40.46
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 18023-86-4
NORMAN SUSDAT
PubChem 86648