Cas no 40146-87-0 (1,2-Oxathiane, 6-decyl-, 2,2-dioxide)
40146-87-0 structure
Product Name:1,2-Oxathiane, 6-decyl-, 2,2-dioxide
CAS No:40146-87-0
MF:C14H28O3S
MW:276.43532371521
CID:324026
PubChem ID:520982
Update Time:2025-04-19
1,2-Oxathiane, 6-decyl-, 2,2-dioxide Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Oxathiane, 6-decyl-, 2,2-dioxide
- 6-decyloxathiane 2,2-dioxide
- DTXSID60334515
- Tetradecane-1-sulfonic acid, 4-hydroxy-, delta-sultone
- 40146-87-0
-
- Inchi： 1S/C14H28O3S/c1-2-3-4-5-6-7-8-9-11-14-12-10-13-18(15,16)17-14/h14H,2-13H2,1H3
- InChI Key： FPGWFFVPBMXANA-UHFFFAOYSA-N
- SMILES： S1(CCCC(CCCCCCCCCC)O1)(=O)=O
Computed Properties
- Exact Mass: 276.17604
- Monoisotopic Mass: 276.17591592g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 9
- Complexity: 293
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.2
- Topological Polar Surface Area: 51.8?2
Experimental Properties
- PSA: 43.37
1,2-Oxathiane, 6-decyl-, 2,2-dioxide Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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