Cas no 53176-11-7 (Benzenesulfonyl chloride, tris(1-methylethyl)-)
53176-11-7 structure
Product Name:Benzenesulfonyl chloride, tris(1-methylethyl)-
CAS No:53176-11-7
MF:C15H23ClO2S
MW:302.859922647476
CID:357830
PubChem ID:11514985
Update Time:2025-04-19
Benzenesulfonyl chloride, tris(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonyl chloride, tris(1-methylethyl)-
- 2,3,4-tri(propan-2-yl)benzenesulfonyl chloride
- SCHEMBL216708
- Triisopropylbenzenesulfonyl chloride
- HRBGUGQWTMBDTR-UHFFFAOYSA-N
- 53176-11-7
- DTXSID60467897
-
- Inchi: 1S/C15H23ClO2S/c1-9(2)12-7-8-13(19(16,17)18)15(11(5)6)14(12)10(3)4/h7-11H,1-6H3
- InChI Key: HRBGUGQWTMBDTR-UHFFFAOYSA-N
- SMILES: ClS(C1=CC=C(C(C)C)C(C(C)C)=C1C(C)C)(=O)=O
Computed Properties
- Exact Mass: 302.11089
- Monoisotopic Mass: 302.1107288g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 381
- 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: 5.3
- Topological Polar Surface Area: 42.5?2
Experimental Properties
- PSA: 34.14
Benzenesulfonyl chloride, tris(1-methylethyl)- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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