Cas no 19961-53-6 (Thiazole, 2-ethyl-5-methyl-)
Thiazole, 2-ethyl-5-methyl- structure
Product Name:Thiazole, 2-ethyl-5-methyl-
CAS No:19961-53-6
MF:C6H9NS
MW:127.207360029221
CID:1389476
PubChem ID:519733
Update Time:2025-04-20
Thiazole, 2-ethyl-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Thiazole, 2-ethyl-5-methyl-
- 2-ethyl-5-methyl-1,3-thiazole
- 2-Ethyl-5-methylthiazole
- DTXSID90334124
- 5-Methyl-2-ethylthiazole
- SCHEMBL127877
- 19961-53-6
- 2-Ethyl-5-methyl-1,3-thiazole #
- YXWWUNNKMJZIOW-UHFFFAOYSA-N
-
- Inchi： 1S/C6H9NS/c1-3-6-7-4-5(2)8-6/h4H,3H2,1-2H3
- InChI Key： YXWWUNNKMJZIOW-UHFFFAOYSA-N
- SMILES： S1C(C)=CN=C1CC
Computed Properties
- Exact Mass: 127.04567
- Monoisotopic Mass: 127.04557046g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 74.9
- 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: 2.2
- Topological Polar Surface Area: 41.1?2
Experimental Properties
- PSA: 12.89
Thiazole, 2-ethyl-5-methyl- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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