Cas no 121028-75-9 (Thiazolium,3-ethyl-4,5-dimethyl-, bromide (1:1))
121028-75-9 structure
Product Name:Thiazolium,3-ethyl-4,5-dimethyl-, bromide (1:1)
CAS No:121028-75-9
MF:C7H12BrNS
MW:222.145879745483
CID:179260
PubChem ID:15947712
Update Time:2025-04-19
Thiazolium,3-ethyl-4,5-dimethyl-, bromide (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Thiazolium,3-ethyl-4,5-dimethyl-, bromide (1:1)
- 3-ethyl-4,5-dimethyl-1,3-thiazol-3-ium,bromide
- LogP
- SCHEMBL3849380
- Thiazolium, 3-ethyl-4,5-dimethyl-, bromide
- DTXSID50153111
- 121028-75-9
-
- Inchi： 1S/C7H12NS.BrH/c1-4-8-5-9-7(3)6(8)2;/h5H,4H2,1-3H3;1H/q+1;/p-1
- InChI Key： HGCSVSNWTCBBDX-UHFFFAOYSA-M
- SMILES： [Br-].S1C=[N+](CC)C(C)=C1C
Computed Properties
- Exact Mass: 208.8935
- Monoisotopic Mass: 220.98738g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 94.9
- 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: 32.1?2
Experimental Properties
- PSA: 3.88
Thiazolium,3-ethyl-4,5-dimethyl-, bromide (1:1) Related Literature
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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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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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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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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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