4,4'-Bis(methylthio)-benzil
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Basic information
- CAS
53458-17-6- Standard SMILES
CSc1ccc(C(=O)C(=O)c2ccc(SC)cc2)cc1- InChIKey
VXHHQKOYLBPIBR-UHFFFAOYSA-N- Molecular formula
- C16H14O2S2
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.04352203
Names & identifiers
- Preferred name
- 4,4'-Bis(methylthio)-benzil
- IUPAC
- 1,2-bis(4-methylsulfanylphenyl)ethane-1,2-dione
- English name
- 4,4''-Bis-(methylthio)-benzil
- Molecular formula
- C16H14O2S2
- Molecular weight
- 302.41
Names & synonyms
53458-17-61,2-bis(4-(methylthio)phenyl)ethane-1,2-dione4,4''-Bis-(methylthio)-benzil4,4'-BIS(METHYLTHIO)-BENZILstarbld00119191,2-bis(4-methylsulfanylphenyl)ethane-1,2-dioneSCHEMBL5859663DTXSID20591389Bis[4-(methylsulfanyl)phenyl]ethane-1,2-dione1,2-Ethanedione, 1,2-bis[4-(methylthio)phenyl]-1,2-bis(4-methylsulfanyl-phenyl)ethane-1,2-dione
Database identifiers
- CAS
53458-17-6- PubChem CID
- 17865401
- DTXSID
DTXSID20591389
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
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Compound notes
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