Cas no 7598-25-6 (2-[4-methyl-3-(2-phenylethyl)-1,3-thiazol-3-ium-5-yl]ethanol;iodide)
![2-[4-methyl-3-(2-phenylethyl)-1,3-thiazol-3-ium-5-yl]ethanol;iodide structure](https://ossimg.kuujia.com/scimg/8000/7598-25-6x500.png)
7598-25-6 structure
Product Name:2-[4-methyl-3-(2-phenylethyl)-1,3-thiazol-3-ium-5-yl]ethanol;iodide
CAS No:7598-25-6
MF:C14H18INOS
MW:375.268294811249
CID:982269
PubChem ID:24201056
Update Time:2025-04-19
2-[4-methyl-3-(2-phenylethyl)-1,3-thiazol-3-ium-5-yl]ethanol;iodide Chemical and Physical Properties
Names and Identifiers
-
- 2-[4-methyl-3-(2-phenylethyl)-1,3-thiazol-3-ium-5-yl]ethanol,iodide
- 2-(4-METHYL-3-PHENETHYL-1,3-THIAZOL-3-IUM-5-YL)ETHANOL IODIDE
- 2-[4-methyl-3-(2-phenylethyl)-1,3-thiazol-3-ium-5-yl]ethanol
- 5-(2-Hydroxy-aethyl)-4-methyl-3-phenaethyl-thiazolium, Jodid
- 5-(2-hydroxy-ethyl)-4-methyl-3-phenethyl-thiazolium, iodide
- iodide
- NSC402919
- 5-(2-Hydroxyethyl)-4-methyl-3-(2-phenylethyl)-1,3-thiazol-3-ium iodide
- DTXSID60639638
- 7598-25-6
- NSC-402919
- 2-[4-methyl-3-(2-phenylethyl)-1,3-thiazol-3-ium-5-yl]ethanol;iodide
-
- Inchi： 1S/C14H18NOS.HI/c1-12-14(8-10-16)17-11-15(12)9-7-13-5-3-2-4-6-13;/h2-6,11,16H,7-10H2,1H3;1H/q+1;/p-1
- InChI Key： RNNYBIFKVICSRR-UHFFFAOYSA-M
- SMILES： [I-].S1C=[N+](C(C)=C1CCO)CCC1C=CC=CC=1
Computed Properties
- Exact Mass: 248.11104
- Monoisotopic Mass: 375.01538g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 218
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 52.4?2
Experimental Properties
- PSA: 24.11
- LogP: -0.87450
2-[4-methyl-3-(2-phenylethyl)-1,3-thiazol-3-ium-5-yl]ethanol;iodide Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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