1-Acetyl-5-(pyridin-3-ylmethylidene)-2-sulfanylideneimidazolidin-4-one

HCID 2835233

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Basic information

CAS: 296272-54-3
Standard SMILES: CC(=O)N1C(=S)NC(=O)C1=Cc1cccnc1
InChIKey: MFJUKBYNDKJBKV-UHFFFAOYSA-N
Molecular formula: C11H9N3O2S
Average molar mass: 247.28 g/mol
Monoisotopic mass: 247.04154771

Names & identifiers

Preferred name: 1-Acetyl-5-(pyridin-3-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
IUPAC: 1-acetyl-5-(pyridin-3-ylmethylidene)-2-sulfanylideneimidazolidin-4-one

Names & synonyms

1-Acetyl-5-(3-pyridinylmethylene)-2-thioxo-4-imidazolidinoneCBMicro_014428DTXSID501184751296272-54-31-Acetyl-5-[(pyridin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

Database identifiers

CAS: 296272-54-3
PubChem CID: 2835233
DTXSID: DTXSID501184751

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 94.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 406

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