Cas no 26418-17-7 (Ethanone,1-(2-benzothiazolyl)-2-fluoro-)
26418-17-7 structure
Product Name:Ethanone,1-(2-benzothiazolyl)-2-fluoro-
CAS No:26418-17-7
MF:C9H6FNOS
MW:195.213444232941
CID:242667
PubChem ID:119089035
Update Time:2025-04-19
Ethanone,1-(2-benzothiazolyl)-2-fluoro- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-(2-benzothiazolyl)-2-fluoro-
- Ketone,2-benzothiazolyl fluoromethyl (8CI)
- 26418-17-7
- 1-(1,3-Benzothiazol-2-Yl)-2-Fluoroethanone
-
- Inchi: 1S/C9H6FNOS/c10-5-7(12)9-11-6-3-1-2-4-8(6)13-9/h1-4H,5H2
- InChI Key: JGXPERJVBPARPK-UHFFFAOYSA-N
- SMILES: S1C(C(CF)=O)=NC2C=CC=CC1=2
Computed Properties
- Exact Mass: 195.01548
- Monoisotopic Mass: 195.01541315g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 212
- 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: 2.6
- Topological Polar Surface Area: 58.2?2
Experimental Properties
- PSA: 29.96
Ethanone,1-(2-benzothiazolyl)-2-fluoro- Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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