Basic information
- CAS
16222-10-9- Standard SMILES
O=C(CSc1ccccc1)c1ccccc1- InChIKey
MRLUWCIEBHJONW-UHFFFAOYSA-N- Molecular formula
- C14H12OS
- Average molar mass
- 228.31 g/mol
- Monoisotopic mass
- 228.060886
Overview
structure given in first source
Names & identifiers
- Preferred name
- Phenacyl phenyl sulfide
- IUPAC
- 1-phenyl-2-phenylsulfanylethanone
- English name
- phenacyl phenyl sulfide
- Molecular formula
- C14H12OS
- Molecular weight
- 228.31
Names & synonyms
Phenacyl phenyl sulfide16222-10-9Ethanone, 1-phenyl-2-(phenylthio)-DTXSID30167337RefChem:172578DTXCID80898281-phenyl-2-phenylsulfanylethanone1-phenyl-2-(phenylsulfanyl)ethan-1-one1-phenyl-2-(phenylthio)ethanone1-phenyl-2-(phenylsulfanyl)ethanonealpha-(phenylthio)acetophenonea-(Phenylthio)acetophenone
Show more names
(Phenylthio)acetylbenzeneα-(Phenylthio)acetophenonePhenyl(2-oxo-2-phenylethyl) sulfide
TimTec1_000767SCHEMBL1355962.alpha.-Thiophenoxy-acetophenoneCHEMBL41039951-phenyl-2-phenylthioethan-1-oneHMS1536C19NSC608609AKOS008908644
Database identifiers
- CAS
16222-10-9- PubChem CID
- 85338
- DTXSID
DTXSID30167337- ChEMBL
CHEMBL4103995- Nikkaji
- J60.321J
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 215
Experimental & physicochemical properties
LogP1.88
Physicochemical properties
- Melting point
- 93 · 93-95 °C
- Boiling point
- 173 · 173-177 °C(Press: 0.5 Torr)
- Density
- 1.174 · 1.174±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 17.1 · 17.1
Chemistry & industry
Suppliers3 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
Related reactions
8 records
Compound notes
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