2-(4,5-Dimethyl-1,3-thiazol-3-ium-3-yl)-1-(4-hydroxyphenyl)ethanone

HCID 9813627
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Basic information

Standard SMILES
Cc1sc[n+](CC(=O)c2ccc(O)cc2)c1C
InChIKey
CAAPNSBMGDFCTP-UHFFFAOYSA-O
Molecular formula
C13H14NO2S+
Average molar mass
248.32 g/mol

Names & identifiers

Preferred name
2-(4,5-Dimethyl-1,3-thiazol-3-ium-3-yl)-1-(4-hydroxyphenyl)ethanone
IUPAC
2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-(4-hydroxyphenyl)ethanone

Names & synonyms

SCHEMBL6535467

Database identifiers

PubChem CID
9813627

Properties

Computed structural properties

XLogP
3
Topological polar surface area
69.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
17

Related reactions

1 records
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Compound notes

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