4-Phenylthiophen-2(5H)-one
Basic information
- CAS
71023-09-1- Standard SMILES
O=C1C=C(c2ccccc2)CS1- InChIKey
MDJPAKZIEDXUFY-UHFFFAOYSA-N- Molecular formula
- C10H8OS
- Average molar mass
- 176.24 g/mol
- Monoisotopic mass
- 176.02958605
Names & identifiers
- Preferred name
- 4-Phenylthiophen-2(5H)-one
- IUPAC
- 3-phenyl-2H-thiophen-5-one
- English name
- 4-phenyl-5H-thiophen-2-one
- Molecular formula
- C10H8OS
- Molecular weight
- 176.24
Names & synonyms
71023-09-13-phenyl-2H-thiophen-5-one4-phenyl-5H-thiophen-2-one4-Phenylthiophen-2(5H)-one4-Phenyl-2,5-dihydrothiophen-2-oneNSC309119DTXSID20316953MFCD17078948NSC-309119DS-0054952-Hydroxy-4-phenylthiophene2(5H)-Thiophenone, 4-phenyl-
Database identifiers
- CAS
71023-09-1- PubChem CID
- 328832
- DTXSID
DTXSID20316953- Nikkaji
- J565.233B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Melting point
- 134 · 134-136 °C(Solv: chloroform (67-66-3); hexane (110-54-3))
- Boiling point
- 331 · 331.0±41.0 °C(Predicted)
- Density
- 1.257 · 1.257±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
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Related reactions
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Compound notes
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