Cas no 866329-08-0 (4-chloro-2-methyl-5-Thiazolecarboxaldehyde)
866329-08-0 structure
Product Name:4-chloro-2-methyl-5-Thiazolecarboxaldehyde
CAS No:866329-08-0
MF:C5H4ClNOS
MW:161.609358787537
CID:1119643
PubChem ID:21052312
Update Time:2025-04-20
4-chloro-2-methyl-5-Thiazolecarboxaldehyde Chemical and Physical Properties
Names and Identifiers
-
- 4-chloro-2-methyl-5-Thiazolecarboxaldehyde
- 4-chloro-2-methylthiazole-5-carbaldehyde
- 866329-08-0
- SCHEMBL3267616
-
- Inchi： 1S/C5H4ClNOS/c1-3-7-5(6)4(2-8)9-3/h2H,1H3
- InChI Key： NFLMSYWHFBVICE-UHFFFAOYSA-N
- SMILES： ClC1=C(C=O)SC(C)=N1
Computed Properties
- Exact Mass: 160.9702126g/mol
- Monoisotopic Mass: 160.9702126g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 122
- 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: 2.1
- Topological Polar Surface Area: 58.2?2
4-chloro-2-methyl-5-Thiazolecarboxaldehyde Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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