Cas no 73602-67-2 (Benzenesulfonic acid,4-(1-butylhexyl)-, sodium salt (1:1))
73602-67-2 structure
Product Name:Benzenesulfonic acid,4-(1-butylhexyl)-, sodium salt (1:1)
CAS No:73602-67-2
MF:C16H25NaO3S
MW:320.422674894333
CID:577464
PubChem ID:23691726
Update Time:2025-04-19
Benzenesulfonic acid,4-(1-butylhexyl)-, sodium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid,4-(1-butylhexyl)-, sodium salt (1:1)
- sodium,4-decan-5-ylbenzenesulfonate
- 73602-67-2
- DTXSID90994388
- Benzenesulfonic acid, 4-(1-butylhexyl)-, sodium salt (1:1)
- Sodium 4-(decan-5-yl)benzene-1-sulfonate
-
- Inchi： 1S/C16H26O3S.Na/c1-3-5-7-9-14(8-6-4-2)15-10-12-16(13-11-15)20(17,18)19;/h10-14H,3-9H2,1-2H3,(H,17,18,19);/q;+1/p-1
- InChI Key： NVCWGZCBTMDLLK-UHFFFAOYSA-M
- SMILES： S(C1C=CC(=CC=1)C(CCCC)CCCCC)(=O)(=O)[O-].[Na+]
Computed Properties
- Exact Mass: 320.14221011g/mol
- Monoisotopic Mass: 320.14221011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 9
- Complexity: 343
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 65.6?2
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
Benzenesulfonic acid,4-(1-butylhexyl)-, sodium salt (1:1) Related Literature
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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