Cas no 169776-06-1 (2-Benzothiazolecarbonitrile,5,6-difluoro-)
169776-06-1 structure
Product Name:2-Benzothiazolecarbonitrile,5,6-difluoro-
CAS No:169776-06-1
MF:C8H2F2N2S
MW:196.176686763763
CID:111259
PubChem ID:10845540
Update Time:2025-04-18
2-Benzothiazolecarbonitrile,5,6-difluoro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Benzothiazolecarbonitrile,5,6-difluoro-
- 2-Benzothiazolecarbonitrile,5,6-difluoro-(9CI)
- 169776-06-1
- 5,6-DIFLUORO-1,3-BENZOTHIAZOLE-2-CARBONITRILE
- 5,6-difluorobenzothiazole-2-carbonitrile
-
- Inchi： 1S/C8H2F2N2S/c9-4-1-6-7(2-5(4)10)13-8(3-11)12-6/h1-2H
- InChI Key： ZESLDIMTZZJJKU-UHFFFAOYSA-N
- SMILES： S1C(C#N)=NC2C=C(C(=CC1=2)F)F
Computed Properties
- Exact Mass: 195.99076
- Monoisotopic Mass: 195.99067557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 252
- 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: 64.9?2
Experimental Properties
- PSA: 36.68
2-Benzothiazolecarbonitrile,5,6-difluoro- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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