Cas no 125131-61-5 (Benzenesulfonyl chloride, 2,6-dimethyl-4-(1-methylethyl)-)
125131-61-5 structure
Product Name:Benzenesulfonyl chloride, 2,6-dimethyl-4-(1-methylethyl)-
CAS No:125131-61-5
MF:C11H15ClO2S
MW:246.753601312637
CID:1217344
PubChem ID:14869828
Update Time:2025-04-20
Benzenesulfonyl chloride, 2,6-dimethyl-4-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonyl chloride, 2,6-dimethyl-4-(1-methylethyl)-
- 2,6-dimethyl-4-propan-2-ylbenzenesulfonyl chloride
- SCHEMBL21550418
- 125131-61-5
- DTXSID60564850
- AKOS006221400
- 2,6-Dimethyl-4-(propan-2-yl)benzene-1-sulfonyl chloride
-
- Inchi： 1S/C11H15ClO2S/c1-7(2)10-5-8(3)11(9(4)6-10)15(12,13)14/h5-7H,1-4H3
- InChI Key： DOWVXIUMXWOPSG-UHFFFAOYSA-N
- SMILES： ClS(C1C(C)=CC(=CC=1C)C(C)C)(=O)=O
Computed Properties
- Exact Mass: 246.04825
- Monoisotopic Mass: 246.0481286g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 293
- 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: 3.8
- Topological Polar Surface Area: 42.5?2
Experimental Properties
- PSA: 34.14
Benzenesulfonyl chloride, 2,6-dimethyl-4-(1-methylethyl)- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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