1-(2-Mercaptoethyl)-4-methylpyridinium p-toluenesulfonate

HCID 20159226
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Basic information

Standard SMILES
Cc1cc[n+](CCS)cc1.Cc1ccc(S(=O)(=O)[O-])cc1
InChIKey
BQYOGFMRKFNQON-UHFFFAOYSA-N
Molecular formula
C15H19NO3S2
Average molar mass
325.5 g/mol
Monoisotopic mass
325.08063582

Names & identifiers

Preferred name
1-(2-Mercaptoethyl)-4-methylpyridinium p-toluenesulfonate
IUPAC
4-methylbenzenesulfonate;2-(4-methylpyridin-1-ium-1-yl)ethanethiol

Names & synonyms

SCHEMBL10749966BQYOGFMRKFNQON-UHFFFAOYSA-N1-(2-mercaptoethyl)-4-methylpyridinium p-toluenesulfonate

Database identifiers

PubChem CID
20159226

Properties

Computed structural properties

Topological polar surface area
70.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
21

Related reactions

2 records
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Compound notes

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