Cas no 214855-13-7 (Benzothiazole,6-fluoro-5-methyl-)
214855-13-7 structure
Product Name:Benzothiazole,6-fluoro-5-methyl-
CAS No:214855-13-7
MF:C8H6FNS
MW:167.203343868256
CID:243006
Update Time:2024-01-26
Benzothiazole,6-fluoro-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazole,6-fluoro-5-methyl-
- Benzothiazole, 6-fluoro-5-methyl- (9CI)
- Benzothiazole, 6-fluoro-5-methyl-
-
- Inchi： 1S/C8H6FNS/c1-5-2-7-8(3-6(5)9)11-4-10-7/h2-4H,1H3
- InChI Key： ANHNCZJUUKGFBH-UHFFFAOYSA-N
- SMILES： S1C2=CC(F)=C(C)C=C2N=C1
Computed Properties
- Exact Mass: 167.02058
- Monoisotopic Mass: 167.02
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 153
- 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
- Topological Polar Surface Area: 41.1A^2
Experimental Properties
- PSA: 12.89
Benzothiazole,6-fluoro-5-methyl- Related Literature
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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