Cas no 220301-87-1 (5-(Trifluoromethyl)benzothiazole-2-carbonitrile)
220301-87-1 structure
Product Name:5-(Trifluoromethyl)benzothiazole-2-carbonitrile
CAS No:220301-87-1
MF:C9H3F3N2S
MW:228.193730592728
CID:849955
Update Time:2023-08-03
5-(Trifluoromethyl)benzothiazole-2-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-Benzothiazolecarbonitrile, 5-(trifluoromethyl)-
- 5-(trifluoromethyl)benzo[d]thiazole-2-carbonitrile
- 5-(trifluoromethyl)benzothiazole-2-carbonitrile
- 5-(Trifluoromethyl)benzothiazole-2-carbonitrile
-
- Inchi: 1S/C9H3F3N2S/c10-9(11,12)5-1-2-7-6(3-5)14-8(4-13)15-7/h1-3H
- InChI Key: BVMFYBPWYIOKQO-UHFFFAOYSA-N
- SMILES: S1C(C#N)=NC2C=C(C(F)(F)F)C=CC1=2
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 296
- Topological Polar Surface Area: 64.9
5-(Trifluoromethyl)benzothiazole-2-carbonitrile Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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