Cas no 850877-58-6 (5-(2-methylthiazol-4-yl)isoindoline)
850877-58-6 structure
Product Name:5-(2-methylthiazol-4-yl)isoindoline
CAS No:850877-58-6
MF:C12H12N2S
MW:216.302081108093
CID:2118651
PubChem ID:57564076
Update Time:2025-04-21
5-(2-methylthiazol-4-yl)isoindoline Chemical and Physical Properties
Names and Identifiers
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- 5-(2-methylthiazol-4-yl)isoindoline
- SCHEMBL329882
- 850877-58-6
- DA-38759
-
- Inchi: 1S/C12H12N2S/c1-8-14-12(7-15-8)9-2-3-10-5-13-6-11(10)4-9/h2-4,7,13H,5-6H2,1H3
- InChI Key: SKXBWOOGHSLDBQ-UHFFFAOYSA-N
- SMILES: S1C(C)=NC(=C1)C1C=CC2CNCC=2C=1
Computed Properties
- Exact Mass: 216.07211956Da
- Monoisotopic Mass: 216.07211956Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 234
- 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
- Topological Polar Surface Area: 53.2?2
5-(2-methylthiazol-4-yl)isoindoline Related Literature
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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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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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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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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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