Cas no 4239-22-9 (4-(3-methylbutylsulfonyloxy)butyl 3-methylbutane-1-sulfonate)
4239-22-9 structure
Product Name:4-(3-methylbutylsulfonyloxy)butyl 3-methylbutane-1-sulfonate
CAS No:4239-22-9
MF:C14H30O6S2
MW:358.514402866364
CID:928077
PubChem ID:229685
Update Time:2025-04-19
4-(3-methylbutylsulfonyloxy)butyl 3-methylbutane-1-sulfonate Chemical and Physical Properties
Names and Identifiers
-
- 4-(3-methylbutylsulfonyloxy)butyl 3-methylbutane-1-sulfonate
- 1-Butanesulfonic acid (9CI), 3-methyl-, 1,4-butanediyl ester
- AC1L5HUS
- AC1Q6YAP
- AG-J-57424
- AR-1I0986
- butane-1,4-diyl bis(3-methylbutane-1-sulfonate)
- CTK4I6174
- NCI60_001900
- NSC23523
- NSC-23523
- DTXSID10281929
- 1-Butanesulfonic acid (9CI), 1,4-butanediyl ester
- 4239-22-9
- CHEMBL1997968
-
- Inchi： 1S/C14H30O6S2/c1-13(2)7-11-21(15,16)19-9-5-6-10-20-22(17,18)12-8-14(3)4/h13-14H,5-12H2,1-4H3
- InChI Key： KEPYZDUMSFZPSX-UHFFFAOYSA-N
- SMILES： S(CCC(C)C)(=O)(=O)OCCCCOS(CCC(C)C)(=O)=O
Computed Properties
- Exact Mass: 358.1485
- Monoisotopic Mass: 358.14838102g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 13
- Complexity: 422
- 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: 3.2
- Topological Polar Surface Area: 104?2
Experimental Properties
- PSA: 86.74
- LogP: 4.71320
4-(3-methylbutylsulfonyloxy)butyl 3-methylbutane-1-sulfonate Related Literature
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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