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

Structure

InChI Key MHMDFLKCEHGMMH-UHFFFAOYSA-N
Smiles O=C(SC)C=CCC
InChI
InChI=1/C6H10OS/c1-3-4-5-6(7)8-2/h4-5H,3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10OS
Molecular Weight 130.05
AlogP 1.84
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 84307-99-3
NORMAN SUSDAT