Cas no 33592-56-2 (Benzene,1-(methylsulfonyl)-4-(2-phenylethynyl)-)
33592-56-2 structure
Product Name:Benzene,1-(methylsulfonyl)-4-(2-phenylethynyl)-
CAS No:33592-56-2
MF:C15H12O2S
MW:256.319582939148
CID:294348
PubChem ID:12168181
Update Time:2025-04-19
Benzene,1-(methylsulfonyl)-4-(2-phenylethynyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1-(methylsulfonyl)-4-(2-phenylethynyl)-
- 1-methylsulfonyl-4-(2-phenylethynyl)benzene
- 2-(4-Methylsulfonylphenyl)-1-phenylacetylene
- Benzene,1-(methylsulfonyl)-4-(phenylethynyl)- (9CI)
- Sulfone, methylp-(phenylethynyl)phenyl (8CI)
- 1-METHANESULFONYL-4-PHENYLETHYNYL-BENZENE
- 33592-56-2
- SCHEMBL7567240
- 1-(Methanesulfonyl)-4-(phenylethynyl)benzene
- DTXSID70479062
-
- Inchi： 1S/C15H12O2S/c1-18(16,17)15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-6,9-12H,1H3
- InChI Key： YUUYAAWODVTJGO-UHFFFAOYSA-N
- SMILES： S(C)(C1C=CC(C#CC2C=CC=CC=2)=CC=1)(=O)=O
Computed Properties
- Exact Mass: 256.05586
- Monoisotopic Mass: 256.05580079g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 418
- 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
Benzene,1-(methylsulfonyl)-4-(2-phenylethynyl)- Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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