2-[5-(Hydroxymethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]-1-phenylethanone

HCID 9834765
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Basic information

Standard SMILES
Cc1c(CO)sc[n+]1CC(=O)c1ccccc1
InChIKey
XUYSXQCHBWWEFZ-UHFFFAOYSA-N
Molecular formula
C13H14NO2S+
Average molar mass
248.32 g/mol

Names & identifiers

Preferred name
2-[5-(Hydroxymethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]-1-phenylethanone
IUPAC
2-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]-1-phenylethanone

Names & synonyms

SCHEMBL6535188

Database identifiers

PubChem CID
9834765

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
69.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
17

Related reactions

1 records
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Compound notes

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