(5E)-5-[(4-methylsulfanylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

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Basic information

CAS: 5577-66-2
Standard SMILES: CSc1ccc(/C=C2/NC(=S)NC2=O)cc1
InChIKey: SRTHIBVORPPKTB-RMKNXTFCSA-N
Molecular formula: C11H10N2OS2
Average molar mass: 250.3 g/mol
Monoisotopic mass: 250.02345529

Names & identifiers

Preferred name: (5E)-5-[(4-methylsulfanylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
IUPAC: (5E)-5-[(4-methylsulfanylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

Names & synonyms

5577-66-2(5E)-5-[(4-methylsulfanylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one(5E)-5-[4-(methylthio)benzylidene]-2-thioxoimidazolidin-4-oneAC1LEZS9DTXSID50353533AKOS000411825SR-01000437826SR-01000437826-15-{[4-(methylsulfanyl)phenyl]methylidene}-2-sulfanylideneimidazolidin-4-one(5E)-5-{[4-(METHYLSULFANYL)PHENYL]METHYLIDENE}-2-SULFANYLIDENEIMIDAZOLIDIN-4-ONE

Database identifiers

CAS: 5577-66-2
PubChem CID: 744532
DTXSID: DTXSID50353533

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 98.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 333

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Compound notes

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