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

Structure

InChI Key MJQWABQELVFQJL-UHFFFAOYSA-N
Smiles OC(C)C(S)C
InChI
InChI=1/C4H10OS/c1-3(5)4(2)6/h3-6H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H10OS
Molecular Weight 106.05
AlogP 0.69
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 20.23
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 37887-04-0
NORMAN SUSDAT
PubChem 62087