Basic information
- CAS
21205-14-1- Standard SMILES
O=C(CC(Sc1ccccc1)c1ccccc1)c1ccccc1- InChIKey
XFMOIXTZMKSAPF-UHFFFAOYSA-N- Molecular formula
- C21H18OS
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.10783637
Names & identifiers
- Preferred name
- 1-Propanone, 1,3-diphenyl-3-(phenylthio)-
- IUPAC
- 1,3-diphenyl-3-phenylsulfanylpropan-1-one
- English name
- 1,3-diphenyl-3-(phenylsulfanyl)-1-propanone
- Molecular formula
- C21H18OS
- Molecular weight
- 318.43
Names & synonyms
1-Propanone, 1,3-diphenyl-3-(phenylthio)-21205-14-1DTXSID00395943RefChem:234717DTXCID303468021,3-diphenyl-3-phenylsulfanylpropan-1-one1,3-diphenyl-3-(phenylsulfanyl)propan-1-one1,3-diphenyl-3-(phenylsulfanyl)-1-propanoneSCHEMBL3412185CHEMBL18192063-phenyl-3-(phenylthio)propiophenoneAKOS024324680
Show more names
1,3-diphenyl-3-(phenylsulphanyl)propan-1-oneAH-357/03460047
Database identifiers
- CAS
21205-14-1- PubChem CID
- 3753151
- DTXSID
DTXSID00395943- ChEMBL
CHEMBL1819206- Nikkaji
- J378.540H
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- Melting point
- 119 · 119-120 °C
- Boiling point
- 493 · 493.0±45.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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