Synonyms
MEA
Status
Molecule Category Free-form
UNII 5UX2SD1KE2
EPA CompTox DTXSID3022875

Structure

InChI Key UFULAYFCSOUIOV-UHFFFAOYSA-N
Smiles NCCS
InChI
InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H7NS
Molecular Weight 77.15
AlogP -0.13
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 26.02
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 4.0
Assay Description Organism Bioactivity Reference
Inhibition of lipid peroxidation of rat hepatic microsomal membrane lipids at 1 uM Rattus norvegicus 37.0 %
Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells at 100 uM by confocal microscopy Homo sapiens 2.4 %

Cross References

Resources Reference
ChEBI 17141
ChEMBL CHEMBL602
DrugBank DB00847
DrugCentral 768
FDA SRS 5UX2SD1KE2
Human Metabolome Database HMDB0002991
Guide to Pharmacology 7440
KEGG C01678
PDB DHL
PharmGKB PA449171
PubChem 6058
SureChEMBL SCHEMBL16369
ZINC ZINC000008034121