2-Phenyl-2,3-dihydro-1-benzothiophen-3-one
Basic information
- CAS
53614-69-0- Standard SMILES
O=C1c2ccccc2SC1c1ccccc1- InChIKey
VWIXUROTJVJZOL-UHFFFAOYSA-N- Molecular formula
- C14H10OS
- Average molar mass
- 226.3 g/mol
- Monoisotopic mass
- 226.04523611
Names & identifiers
- Preferred name
- 2-Phenyl-2,3-dihydro-1-benzothiophen-3-one
- IUPAC
- 2-phenyl-1-benzothiophen-3-one
- English name
- 2-Phenyl-2,3-dihydro-1-benzothiophen-3-one
- Molecular formula
- C14H10OS
- Molecular weight
- 226.2936
Names & synonyms
53614-69-02-Phenyl-2,3-dihydro-1-benzothiophen-3-one2-phenylbenzo[b]thiophen-3(2h)-oneBenzo[b]thiophen-3(2H)-one, 2-phenyl-CHEMBL1725446DTXSID304049562-Phenyl-1-benzothiophen-3(2H)-oneAKOS000282803AKOS026672156G68818F181162
Database identifiers
- CAS
53614-69-0- PubChem CID
- 4617895
- DTXSID
DTXSID30404956- ChEMBL
CHEMBL1725446
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Melting point
- 105 °C · 105 °C
- Boiling point
- 387.9 · 387.9±42.0 °C(Predicted)
- Density
- 1.266 · 1.266±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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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