Keyword(s): Human Neurotoxin
Molecule Category Free-form
UNII GNN1DV99GX
EPA CompTox DTXSID6037069

Structure

InChI Key VVNCNSJFMMFHPL-VKHMYHEASA-N
Smiles CC(C)(S)[C@@H](N)C(O)=O
InChI
InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H11N1O2S1
Molecular Weight 149.05
AlogP 0.11
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 63.32
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 52-67-5
NORMAN SUSDAT
FDA SRS GNN1DV99GX
PubChem 6926437
ChemSpider 5643.0