Keyword(s): Human Neurotoxin
Molecule Category Free-form
UNII 99Z2744345
EPA CompTox DTXSID3045017

Structure

InChI Key LMBWSYZSUOEYSN-UHFFFAOYSA-N
Smiles CCN(CC)C(S)=S
InChI
InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H11N1S2
Molecular Weight 149.03
AlogP 1.54
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 3.24
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 147-84-2
NORMAN SUSDAT
FDA SRS 99Z2744345
PubChem 8987
ChemSpider 8639.0