Cas no 632339-04-9 (1,1'-Biphenyl, 4'-methyl-2-(methylsulfonyl)-)
632339-04-9 structure
Product Name:1,1'-Biphenyl, 4'-methyl-2-(methylsulfonyl)-
CAS No:632339-04-9
MF:C14H14O2S
MW:246.324762821198
CID:1649644
PubChem ID:21061685
Update Time:2025-04-21
1,1'-Biphenyl, 4'-methyl-2-(methylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,1'-Biphenyl, 4'-methyl-2-(methylsulfonyl)-
- 1-(4-methylphenyl)-2-methylsulfonylbenzene
- 2-(Methanesulfonyl)-4'-methyl-1,1'-biphenyl
- 632339-04-9
- DTXSID00610406
- SCHEMBL7265178
-
- Inchi： 1S/C14H14O2S/c1-11-7-9-12(10-8-11)13-5-3-4-6-14(13)17(2,15)16/h3-10H,1-2H3
- InChI Key： DHPHOHKKJZFVDN-UHFFFAOYSA-N
- SMILES： S(C)(C1C=CC=CC=1C1C=CC(C)=CC=1)(=O)=O
Computed Properties
- Exact Mass: 246.07152
- Monoisotopic Mass: 246.07145086g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 334
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 42.5?2
Experimental Properties
- PSA: 34.14
1,1'-Biphenyl, 4'-methyl-2-(methylsulfonyl)- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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