Cas no 639459-71-5 (Thiazolium, 3,3'-(1,12-dodecanediyl)bis[5-ethyl-4-methyl-, diiodide)
639459-71-5 structure
Product Name:Thiazolium, 3,3'-(1,12-dodecanediyl)bis[5-ethyl-4-methyl-, diiodide
CAS No:639459-71-5
MF:C24H42I2N2S2
MW:676.542628765106
CID:1662851
PubChem ID:10439511
Update Time:2025-04-21
Thiazolium, 3,3'-(1,12-dodecanediyl)bis[5-ethyl-4-methyl-, diiodide Chemical and Physical Properties
Names and Identifiers
-
- 5-ethyl-3-[12-(5-ethyl-4-methyl-1,3-thiazol-3-ium-3-yl)dodecyl]-4-methyl-1,3-thiazol-3-ium,diiodide
- Thiazolium, 3,3'-(1,12-dodecanediyl)bis[5-ethyl-4-methyl-, diiodide
- CHEMBL193319
- DTXSID10439862
- 639459-71-5
-
- Inchi: 1S/C24H42N2S2.2HI/c1-5-23-21(3)25(19-27-23)17-15-13-11-9-7-8-10-12-14-16-18-26-20-28-24(6-2)22(26)4;;/h19-20H,5-18H2,1-4H3;2*1H/q+2;;/p-2
- InChI Key: NOUOQTPDNPMPTP-UHFFFAOYSA-L
- SMILES: [I-].[I-].S1C=[N+](C(C)=C1CC)CCCCCCCCCCCC[N+]1=CSC(CC)=C1C
Computed Properties
- Exact Mass: 633.7584
- Monoisotopic Mass: 676.08789g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 30
- Rotatable Bond Count: 15
- Complexity: 357
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 64.2?2
Experimental Properties
- PSA: 7.76
Thiazolium, 3,3'-(1,12-dodecanediyl)bis[5-ethyl-4-methyl-, diiodide Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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