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

Structure

InChI Key JFNGZXUPUVUYST-UHFFFAOYSA-N
Smiles S(CC)C(C)CC
InChI
InChI=1/C6H14S/c1-4-6(3)7-5-2/h6H,4-5H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H14S
Molecular Weight 118.08
AlogP 2.54
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 5008-72-0
NORMAN SUSDAT
PubChem 521270