Benzene, 1-methyl-4-[(phenylethynyl)sulfonyl]-
Basic information
- CAS
28995-88-2- Standard SMILES
Cc1ccc(S(=O)(=O)C#Cc2ccccc2)cc1- InChIKey
LCFRAXQOCAQFJR-UHFFFAOYSA-N- Molecular formula
- C15H12O2S
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.05580079
Names & identifiers
- Preferred name
- Benzene, 1-methyl-4-[(phenylethynyl)sulfonyl]-
- IUPAC
- 1-methyl-4-(2-phenylethynylsulfonyl)benzene
Names & synonyms
28995-88-21-METHYL-4-(PHENYLETHYNESULFONYL)BENZENE1-Methyl-4-((phenylethynyl)sulfonyl)benzene1-methyl-4-[(phenylethynyl)sulfonyl]benzeneBenzene, 1-methyl-4-[(phenylethynyl)sulfonyl]-SCHEMBL288584551-p-tolylsulfonyl-2-phenylethyneDTXSID40454745MFCD00034578HS-4482SY5127481-methyl-4-(2-phenyl-ethynylsulfonyl)-benzene
Database identifiers
- CAS
28995-88-2- PubChem CID
- 11086367
- DTXSID
DTXSID40454745- Nikkaji
- J483.020B
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 418
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Compound notes
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