3-Methyl-1-[2-(phenylthio)phenyl]-1H-pyrrole-2,5-dione

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Basic information

CAS: 1103976-19-7
Standard SMILES: CC1=CC(=O)N(c2ccccc2Sc2ccccc2)C1=O
InChIKey: UDGRRLICVDDOSU-UHFFFAOYSA-N
Molecular formula: C17H13NO2S
Average molar mass: 295.4 g/mol
Monoisotopic mass: 295.06669983

Names & identifiers

Preferred name: 3-Methyl-1-[2-(phenylthio)phenyl]-1H-pyrrole-2,5-dione
IUPAC: 3-methyl-1-(2-phenylsulfanylphenyl)pyrrole-2,5-dione

Names & synonyms

3-Methyl-1-[2-(phenylthio)phenyl]-1H-pyrrole-2,5-dioneDTXSID501208216AKOS0090963291103976-19-73-Methyl-1-[2-(phenylsulfanyl)phenyl]-1H-pyrrole-2,5-dione

Database identifiers

CAS: 1103976-19-7
PubChem CID: 43394151
DTXSID: DTXSID501208216
Nikkaji: J2.656.224D

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 62.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 454

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Compound notes

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