Cas no 5324-58-3 (Benzene,1-methyl-4-[[2-(methylsulfonyl)ethyl]sulfonyl]-)
![Benzene,1-methyl-4-[[2-(methylsulfonyl)ethyl]sulfonyl]- structure](https://ossimg.kuujia.com/scimg/5500/5324-58-3x500.png)
5324-58-3 structure
Product Name:Benzene,1-methyl-4-[[2-(methylsulfonyl)ethyl]sulfonyl]-
CAS No:5324-58-3
MF:C10H14O4S2
MW:262.345760822296
CID:382535
PubChem ID:220241
Update Time:2025-04-19
Benzene,1-methyl-4-[[2-(methylsulfonyl)ethyl]sulfonyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1-methyl-4-[[2-(methylsulfonyl)ethyl]sulfonyl]-
- 1-methyl-4-(2-methylsulfonylethylsulfonyl)benzene
- 1-methanesulfonyl-2-(toluene-4-sulfonyl)-ethane
- 1-Methansulfonyl-2-(toluol-4-sulfonyl)-aethan
- 1-methyl-4-{[2-(methylsulfonyl)ethyl]sulfonyl}benzene
- AC1L58HM
- AC1Q6TYT
- AG-J-05798
- AR-1C4608
- CTK4J7324
- NSC2708
- 5324-58-3
- DTXSID80277516
- NSC-2708
-
- Inchi： 1S/C10H14O4S2/c1-9-3-5-10(6-4-9)16(13,14)8-7-15(2,11)12/h3-6H,7-8H2,1-2H3
- InChI Key： DVZWJUUZLSCUQB-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(CCS(C)(=O)=O)(=O)=O
Computed Properties
- Exact Mass: 262.03342
- Monoisotopic Mass: 262.03335127g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 403
- 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: 0.9
- Topological Polar Surface Area: 85?2
Experimental Properties
- PSA: 68.28
- LogP: 2.97490
Benzene,1-methyl-4-[[2-(methylsulfonyl)ethyl]sulfonyl]- Related Literature
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Congyu Li,Wenfu Wang,Haiyan Wang,Guokai Yan,Weiyang Dong,Zhaosheng Chu,Huan Wang,Yang Chang RSC Adv., 2021,11, 26721-26731
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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5. Exclusive enantioselective recognition of glucopyranosides by inherently chiral hemicryptophanes?Olivier Perraud,Alexandre Martinez,Jean-Pierre Dutasta Chem. Commun., 2011,47, 5861-5863
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