Basic information
- CAS
63084-99-1- Standard SMILES
CSc1ccc(C(=O)c2ccc(SC)cc2)cc1- InChIKey
ZBIAQUSSQDJCSS-UHFFFAOYSA-N- Molecular formula
- C15H14OS2
- Average molar mass
- 274.4 g/mol
- Monoisotopic mass
- 274.04860741
Names & identifiers
- Preferred name
- Bis(4-methylsulfanylphenyl)methanone
- IUPAC
- bis(4-methylsulfanylphenyl)methanone
- English name
- bis(4-methylsulfanylphenyl)methanone
- Molecular formula
- C15H14OS2
- Molecular weight
- 274.4
Names & synonyms
63084-99-1bis(4-methylsulfanylphenyl)methanonebis[4-(methylsulfanyl)phenyl]methanoneBis(4-(methylthio)phenyl)methanonebis-(4-methylsulfanyl-phenyl)-methanone4,4'-Bis-(methylthio)-benzophenoneNSC 156568MFCD20041439NSC156568SCHEMBL61826874,4'-dimethylmercaptobenzophenoneDTXSID40303087
Show more names
4,4’-Bis-(methylthio)-benzophenoneMethanone, bis[4-(methylthio)phenyl]-
ZBIAQUSSQDJCSS-UHFFFAOYSA-NNSC-156568FB168327
Database identifiers
- CAS
63084-99-1- PubChem CID
- 291368
- DTXSID
DTXSID40303087- Nikkaji
- J973.758H
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Melting point
- 125.5 °C · 125.5 °C
- Boiling point
- 435.5 · 435.5±30.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
杭州杰恒化工有限公司0571-87396432 · [email protected]
Related reactions
2 records
Compound notes
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