Cas no 79749-62-5 (1-Propanesulfonic acid,3-hydroxy-, 3-sulfopropyl ester)
79749-62-5 structure
Product Name:1-Propanesulfonic acid,3-hydroxy-, 3-sulfopropyl ester
CAS No:79749-62-5
MF:C6H14O7S2
MW:262.301160335541
CID:576460
PubChem ID:6365789
Update Time:2025-04-19
1-Propanesulfonic acid,3-hydroxy-, 3-sulfopropyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanesulfonic acid,3-hydroxy-, 3-sulfopropyl ester
- 3-(3-hydroxypropylsulfonyloxy)propane-1-sulfonic acid
- 3-sulphopropyl 3-hydroxypropane-1-sulphonate
- 3-[(3-Hydroxypropane-1-sulfonyl)oxy]propane-1-sulfonic acid
- EINECS 279-249-4
- SCHEMBL9859212
- NS00061038
- 3-Hydroxy propane sulfonic acid-(3-sulfopropyl)-ester
- 79749-62-5
- 3-SULFOPROPYL 3-HYDROXYPROPANE-1-SULFONATE
- DFPRQLAQGLLHCP-UHFFFAOYSA-N
- DTXSID401000704
-
- Inchi： 1S/C6H14O7S2/c7-3-1-6-15(11,12)13-4-2-5-14(8,9)10/h7H,1-6H2,(H,8,9,10)
- InChI Key： DFPRQLAQGLLHCP-UHFFFAOYSA-N
- SMILES： S(CCCO)(=O)(=O)OCCCS(=O)(=O)O
Computed Properties
- Exact Mass: 262.018094
- Monoisotopic Mass: 262.018094
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 15
- Rotatable Bond Count: 8
- Complexity: 344
- 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
- Topological Polar Surface Area: 135
- XLogP3: -1.4
Experimental Properties
- Density: 1.533
- Refractive Index: 1.523
1-Propanesulfonic acid,3-hydroxy-, 3-sulfopropyl ester Related Literature
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Xinyi Liu,Huan Chen,Jing Lin,Yi Li,Liangqia Guo Chem. Commun., 2019,55, 2972-2975
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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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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
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