Keyword(s): Human Metabolites
Molecule Category Free-form
UNII YLV8W34ERU
EPA CompTox DTXSID00960574

Structure

InChI Key MRCFHOIQEFOJEC-UHFFFAOYSA-N
Smiles S(SC(C)C)C
InChI
InChI=1/C4H10S2/c1-4(2)6-5-3/h4H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H10S2
Molecular Weight 122.02
AlogP 2.41
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 40136-65-0
NORMAN SUSDAT
FDA SRS YLV8W34ERU
PubChem 123494