Cas no 16427-45-5 (1,3-Propanedisulfonicacid, diethyl ester (6CI,8CI,9CI))
16427-45-5 structure
Product Name:1,3-Propanedisulfonicacid, diethyl ester (6CI,8CI,9CI)
CAS No:16427-45-5
MF:C7H16O6S2
MW:260.328340530396
CID:165149
PubChem ID:146300
Update Time:2025-04-19
1,3-Propanedisulfonicacid, diethyl ester (6CI,8CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanedisulfonicacid, diethyl ester (6CI,8CI,9CI)
- diethyl propane-1,3-disulfonate
- 1,3-propanedisulfonic acid, diethyl ester
- Diethyl 1,3-propanedisulfonate
- SCHEMBL778055
- DTXSID50167738
- 16427-45-5
-
- Inchi： 1S/C7H16O6S2/c1-3-12-14(8,9)6-5-7-15(10,11)13-4-2/h3-7H2,1-2H3
- InChI Key： YPPAEKWKFAEJSR-UHFFFAOYSA-N
- SMILES： S(CCCS(=O)(=O)OCC)(=O)(=O)OCC
Computed Properties
- Exact Mass: 260.03888
- Monoisotopic Mass: 260.039
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 8
- Complexity: 308
- 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: 0.2
- Topological Polar Surface Area: 104?2
Experimental Properties
- Density: 1.309
- Boiling Point: 457.8°Cat760mmHg
- Flash Point: 230.7°C
- Refractive Index: 1.47
- PSA: 86.74
1,3-Propanedisulfonicacid, diethyl ester (6CI,8CI,9CI) Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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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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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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