Cas no 7478-09-3 (2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]-1-phenylethanone;bromide)
![2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]-1-phenylethanone;bromide structure](https://ossimg.kuujia.com/scimg/7500/7478-09-3x500.png)
7478-09-3 structure
Product Name:2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]-1-phenylethanone;bromide
CAS No:7478-09-3
MF:C14H16BrNO2S
MW:342.251341819763
CID:980374
PubChem ID:9949914
Update Time:2025-04-19
2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]-1-phenylethanone;bromide Chemical and Physical Properties
Names and Identifiers
-
- 2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]-1-phenylethanone;bromide
- 3-(2-phenyl-2-oxoethyl)-4-methyl-5-(2-hydroxyethyl)thiazolium bromide; 5-(2-Hydroxy-aethyl)-4-methyl-3-phenacyl-thiazolium, Bromid; 3-(2-phenyl-2-oxoethyl)-4-methyl-5-(2-hydroxyethyl)-thiazolium bromide; NSC402869; 3-(2-phenyl-2-oxoethyl)-4-methyl-5-(2-hydroxyethyl) thiazolium bromide; 5-(2-hydroxy-ethyl)-4-methyl-3-phenacyl-thiazolium, bromide;
- NSC-402869
- NSC402869
- 7478-09-3
- AGN-PC-0MW6PN
- SCHEMBL2947503
- DTXSID10433249
-
- Inchi： 1S/C14H16NO2S.BrH/c1-11-14(7-8-16)18-10-15(11)9-13(17)12-5-3-2-4-6-12;/h2-6,10,16H,7-9H2,1H3;1H/q+1;/p-1
- InChI Key： JFRQWQPHEDJRMV-UHFFFAOYSA-M
- SMILES： [Br-].S1C=[N+](CC(C2C=CC=CC=2)=O)C(C)=C1CCO
Computed Properties
- Exact Mass: 262.09028
- Monoisotopic Mass: 341.008512
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 279
- 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: 69.4
Experimental Properties
- PSA: 41.18
- LogP: -1.23430
2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]-1-phenylethanone;bromide Related Literature
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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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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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