Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Y2D731QBYN
EPA CompTox DTXSID1041396

Structure

InChI Key LOCHFZBWPCLPAN-UHFFFAOYNA-N
Smiles CCC(C)S
InChI
InChI=1S/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H10S1
Molecular Weight 90.05
AlogP 1.71
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 513-53-1
NORMAN SUSDAT
FDA SRS Y2D731QBYN
ChemSpider 10120.0