Cas no 170881-41-1 (Benzothiazole,5,6-difluoro-2-methyl-)
170881-41-1 structure
Product Name:Benzothiazole,5,6-difluoro-2-methyl-
CAS No:170881-41-1
MF:C8H5F2NS
MW:185.19380736351
CID:111375
Update Time:2024-01-24
Benzothiazole,5,6-difluoro-2-methyl- Chemical and Physical Properties
Names and Identifiers
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- Benzothiazole,5,6-difluoro-2-methyl-
- Benzothiazole, 5,6-difluoro-2-methyl- (9CI)
- Benzothiazole, 5,6-difluoro-2-methyl-
-
- Inchi： 1S/C8H5F2NS/c1-4-11-7-2-5(9)6(10)3-8(7)12-4/h2-3H,1H3
- InChI Key： HCJFVOKQRLZRIJ-UHFFFAOYSA-N
- SMILES： S1C2=CC(F)=C(F)C=C2N=C1C
Computed Properties
- Exact Mass: 185.01115
- Monoisotopic Mass: 185.011
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 178
- 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,5,6-difluoro-2-methyl- Related Literature
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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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3. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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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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