3-{[4-(Pyridin-2-ylsulfanyl)phenyl]amino}cyclohex-2-en-1-one
Basic information
- CAS
634155-00-3- Standard SMILES
O=C1C=C(Nc2ccc(Sc3ccccn3)cc2)CCC1- InChIKey
AOFUKJAWMDOXKD-UHFFFAOYSA-N- Molecular formula
- C17H16N2OS
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.09833431
Names & identifiers
- Preferred name
- 3-{[4-(Pyridin-2-ylsulfanyl)phenyl]amino}cyclohex-2-en-1-one
- IUPAC
- 3-(4-pyridin-2-ylsulfanylanilino)cyclohex-2-en-1-one
Names & synonyms
634155-00-33-{[4-(pyridin-2-ylsulfanyl)phenyl]amino}cyclohex-2-en-1-one3-(4-pyridin-2-ylsulfanylanilino)cyclohex-2-en-1-one3-((4-(2-PYRIDYLTHIO)PHENYL)AMINO)CYCLOHEX-2-EN-1-ONEDTXSID501206446JAB15500MFCD00171167AKOS005110741MS-68043-[4-(2-pyridylsulfanyl)anilino]cyclohex-2-en-1-one3-((4-(Pyridin-2-ylthio)phenyl)amino)cyclohex-2-en-1-one3-[[4-(2-Pyridinylthio)phenyl]amino]-2-cyclohexen-1-one
Show more names
3-{4-[(Pyridin-2-yl)sulfanyl]anilino}cyclohex-2-en-1-one
Database identifiers
- CAS
634155-00-3- PubChem CID
- 3596484
- DTXSID
DTXSID501206446
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 388
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Compound notes
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