Keyword(s): Human Metabolites
Molecule Category Free-form
UNII U4529NM2C1
EPA CompTox DTXSID5047401

Structure

InChI Key GAZXPZNJTZIGBO-UHFFFAOYSA-N
Smiles CCCSSSCCC
InChI
InChI=1S/C6H14S3/c1-3-5-7-9-8-6-4-2/h3-6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H14S3
Molecular Weight 182.03
AlogP 3.84
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 6.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 6028-61-1
NORMAN SUSDAT
FDA SRS U4529NM2C1
PubChem 22383
ChemSpider 21008.0