Keyword(s): Human Metabolites
Molecule Category Free-form
UNII BH457E77GG
EPA CompTox DTXSID90168426

Structure

InChI Key LSUXMVNABVPWMF-UHFFFAOYSA-N
Smiles CC(C)(C)CS
InChI
InChI=1S/C5H12S/c1-5(2,3)4-6/h6H,4H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H12S1
Molecular Weight 104.07
AlogP 1.96
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 1679-08-9
NORMAN SUSDAT
FDA SRS BH457E77GG
PubChem 74298
ChemSpider 66901.0