Cas no 89209-05-2 (2,1,3-Benzothiadiazole, 6-(1,1-dimethylethyl)-4-methyl-)
89209-05-2 structure
Product Name:2,1,3-Benzothiadiazole, 6-(1,1-dimethylethyl)-4-methyl-
CAS No:89209-05-2
MF:C11H14N2S
MW:206.307260990143
CID:608712
PubChem ID:13114404
Update Time:2025-04-19
2,1,3-Benzothiadiazole, 6-(1,1-dimethylethyl)-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,1,3-Benzothiadiazole, 6-(1,1-dimethylethyl)-4-methyl-
- 6-tert-butyl-4-methyl-2,1,3-benzothiadiazole
- DTXSID50519011
- 89209-05-2
-
- Inchi： 1S/C11H14N2S/c1-7-5-8(11(2,3)4)6-9-10(7)13-14-12-9/h5-6H,1-4H3
- InChI Key： IGPZFMXVWBJNFD-UHFFFAOYSA-N
- SMILES： S1N=C2C(C=C(C=C2C)C(C)(C)C)=N1
Computed Properties
- Exact Mass: 206.08776963g/mol
- Monoisotopic Mass: 206.08776963g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- 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: 3.8
- Topological Polar Surface Area: 54?2
2,1,3-Benzothiadiazole, 6-(1,1-dimethylethyl)-4-methyl- Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
89209-05-2 (2,1,3-Benzothiadiazole, 6-(1,1-dimethylethyl)-4-methyl-) Related Products
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