Structure

InChI Key IAZDPXIOMUYVGZ-UHFFFAOYSA-N
Smiles C[S+](C)[O-]
InChI
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H6OS
Molecular Weight 78.14
AlogP -0.01
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 17.07
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 4.0
Assay Description Organism Bioactivity Reference
Compound was tested for its ability to inhibit DNA strand scission induced by resveratrol and Cu2+, at concentration 50 mM Escherichia coli 2.8 %
Effect on cell cycle (G0/G1 phase) progression by flow cytometry against NUGC3 human cancer cells after 24 hours Homo sapiens 67.7 %
Effect on cell cycle (G2/M phase) progression by flow cytometry against NUGC3 human cancer cells after 24 hours Homo sapiens 19.0 %
Effect on cell cycle (S-phase) progression by flow cytometry against NUGC3 human cancer cells after 24 hours Homo sapiens 13.6 %
Inhibition against Opioid receptor kappa 1 using selective ligand [3H]U-69593 Cavia porcellus 4.0 %
Zone of inhibition of Escherichia coli after treatment with the compound Escherichia coli 0.0 mm
Zone of inhibition of Staphylococcus aureus after treatment with the compound Staphylococcus aureus 0.0 mm
Zone of inhibition of Pseudomonas aeruginosa after treatment with the compound Pseudomonas aeruginosa 0.0 mm
Percent of growth inhibition of Trypanosoma cruzi (Y strain) epimastigote forms at compound concentration of 1 mg/mL after incubation for 24 hr Trypanosoma cruzi 0.0 %
Percent of growth inhibition of Trypanosoma cruzi (Y strain) epimastigote forms at compound concentration of 1 mg/mL after incubation for 48 hr Trypanosoma cruzi 0.0 %
Percent of growth inhibition of Trypanosoma cruzi (Y strain) epimastigote forms at compound concentration of 1 mg/mL after incubation for 72 hr Trypanosoma cruzi 0.0 %
Percent of growth inhibition of Trypanosoma cruzi (Y strain) epimastigote forms at compound concentration of 1 mg/mL after incubation for 98 hr Trypanosoma cruzi 0.0 %
Percent of growth inhibition of Trypanosoma cruzi (Y strain) epimastigote forms at compound concentration of 10 mg/mL after incubation for 24 hr Trypanosoma cruzi 0.0 %
Percent of growth inhibition of Trypanosoma cruzi (Y strain) epimastigote forms at compound concentration of 10 mg/mL after incubation for 48 hr Trypanosoma cruzi 0.0 %
Percent of growth inhibition of Trypanosoma cruzi (Y strain) epimastigote forms at compound concentration of 10 mg/mL after incubation for 72 hr Trypanosoma cruzi 0.0 %
Percent of growth inhibition of Trypanosoma cruzi (Y strain) epimastigote forms at compound concentration of 10 mg/mL after incubation for 98 hr Trypanosoma cruzi 0.0 %
Percent of growth inhibition of Trypanosoma cruzi (Y strain) epimastigote forms at compound concentration of 100 mg/mL after incubation for 24 hr Trypanosoma cruzi 0.0 %
Percent of growth inhibition of Trypanosoma cruzi (Y strain) epimastigote forms at compound concentration of 100 mg/mL after incubation for 48 hr Trypanosoma cruzi 0.0 %
Percent of growth inhibition of Trypanosoma cruzi (Y strain) epimastigote forms at compound concentration of 100 mg/mL after incubation for 72 hr Trypanosoma cruzi 0.0 %
Percent of growth inhibition of Trypanosoma cruzi (Y strain) epimastigote forms at compound concentration of 100 mg/mL after incubation for 98 hr Trypanosoma cruzi 0.0 %
Cytotoxicity against mouse HII4E cells after 48 hrs by MTT assay Mus musculus 199.0 ug.mL-1
Inhibition of chymotrypsin-like activity of human 20S proteasome at 100 nM using Suc-Leu-Leu-Val-Tyr-AMC as substrate by fluorescence assay relative to control Homo sapiens 4.89 %
Immunosuppressive activity in MOG (35 to 55 residues)/pertussis toxin-induced experimental allergic encephalomyelitis C57BL/6J mouse model assessed as reduction in disease severity score at 15 mg/kg, po bid measured at day 23 relative to dexamethasone Mus musculus 15.0 %

Cross References

Resources Reference
ChEBI 28262
ChEMBL CHEMBL504
DrugBank DB01093
DrugCentral 906
FDA SRS YOW8V9698H
Human Metabolome Database HMDB0002151
KEGG C11143
PDB DMS
PharmGKB PA449342
PubChem 679
SureChEMBL SCHEMBL59
ZINC ZINC000005224188