Cas no 53498-31-0 (Thiazole,5-ethyl-4-methyl-2-(1-methylethyl)-)
53498-31-0 structure
Product Name:Thiazole,5-ethyl-4-methyl-2-(1-methylethyl)-
CAS No:53498-31-0
MF:C9H15NS
MW:169.28710103035
CID:375347
PubChem ID:3085038
Update Time:2025-04-19
Thiazole,5-ethyl-4-methyl-2-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Thiazole,5-ethyl-4-methyl-2-(1-methylethyl)-
- 5-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole
- 5-Ethyl-2-isopropyl-4-methyl-1,3-thiazole
- 53498-31-0
- 5-Ethyl-4-methyl-2-(1-methylethyl)thiazole
- 2-Isopropyl-4-methyl-5-ethylthiazole
- SCHEMBL10129942
- AKOS006371263
- 5-Ethyl-2-isopropyl-4-methyl-thiazole
- 5-ethyl-4-methyl-2-(propan-2-yl)-1,3-thiazole
- DTXSID50201702
- Thiazole, 5-ethyl-4-methyl-2-(1-methylethyl)-
- AYEGWZGUAQDVNB-UHFFFAOYSA-N
- 5-Ethyl-4-methyl-2-(1-methylethyl)-Thiazole
- K6PX9H24Y6
- 5-Ethyl-4-methyl-2-(1-methylethyl)thiazole, 9CI
-
- Inchi: 1S/C9H15NS/c1-5-8-7(4)10-9(11-8)6(2)3/h6H,5H2,1-4H3
- InChI Key: AYEGWZGUAQDVNB-UHFFFAOYSA-N
- SMILES: S1C(CC)=C(C)N=C1C(C)C
Computed Properties
- Exact Mass: 169.09265
- Monoisotopic Mass: 169.093
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 125
- 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: 3.3
- Topological Polar Surface Area: 41.1?2
Experimental Properties
- Density: 0.988
- Boiling Point: 225.3°Cat760mmHg
- Flash Point: 83.3°C
- Refractive Index: 1.51
- PSA: 12.89
Thiazole,5-ethyl-4-methyl-2-(1-methylethyl)- Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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