Cas no 16722-32-0 (Benzenesulfonic acid,4-hexadecyl-)
16722-32-0 structure
Product Name:Benzenesulfonic acid,4-hexadecyl-
CAS No:16722-32-0
MF:C22H38O3S
MW:382.600326061249
CID:175291
PubChem ID:85569
Update Time:2025-04-19
Benzenesulfonic acid,4-hexadecyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid,4-hexadecyl-
- 4-hexadecylbenzenesulfonic acid
- PARA-HEXADECYLBENZENESULPHONICACID
- NS00100897
- 16722-32-0
- DTXSID0066111
- SCHEMBL4532942
- Benzenesulfonic acid, 4-hexadecyl-
-
- Inchi： 1S/C22H38O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-19-22(20-18-21)26(23,24)25/h17-20H,2-16H2,1H3,(H,23,24,25)
- InChI Key： KJORMGGHDPSQSX-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)CCCCCCCCCCCCCCCC)(=O)(=O)O
Computed Properties
- Exact Mass: 382.25434
- Monoisotopic Mass: 382.254
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 26
- Rotatable Bond Count: 16
- Complexity: 406
- 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: 9.1
- Topological Polar Surface Area: 62.8A^2
Experimental Properties
- Density: 1.017
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.503
- PSA: 54.37
Benzenesulfonic acid,4-hexadecyl- Related Literature
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
-
Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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