Keyword(s): Human Metabolites
Molecule Category Free-form
UNII H1E1U441XX
EPA CompTox DTXSID7060128

Structure

InChI Key CZUGFKJYCPYHHV-UHFFFAOYSA-N
Smiles CSCCCO
InChI
InChI=1S/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H10O1S1
Molecular Weight 106.05
AlogP 0.73
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 20.23
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 505-10-2
NORMAN SUSDAT
FDA SRS H1E1U441XX
PubChem 10448
ChemSpider 10016.0