MTSEA   Click here for help

GtoPdb Ligand ID: 6272

Synonyms: methanethiosulfonate ethylammonium
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 92.79
Molecular weight 155.01
XLogP -1.23
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CS(=S)(=O)OCCN
Isomeric SMILES CS(=S)(=O)OCCN
InChI InChI=1S/C3H9NO2S2/c1-8(5,7)6-3-2-4/h2-4H2,1H3
InChI Key HKERMLQDWIEJQS-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-methylsulfonothioyloxyethanamine
Synonyms Click here for help
methanethiosulfonate ethylammonium
Database Links Click here for help
GtoPdb PubChem SID 178102892
PubChem CID 53443082
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