Keyword(s): Human Metabolites
Molecule Category Free-form
UNII L9T9M73LER
EPA CompTox DTXSID10207124

Structure

InChI Key OUMFAUYLXGTBCX-UHFFFAOYSA-N
Smiles CCCCNCCS
InChI
InChI=1S/C6H15NS/c1-2-3-4-7-5-6-8/h7-8H,2-6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H15N1S1
Molecular Weight 133.09
AlogP 1.31
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 12.03
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 5842-00-2
NORMAN SUSDAT
FDA SRS L9T9M73LER
PubChem 1520
ChemSpider 1466.0