Cas no 22240-50-2 (Benzothiazole,6-ethenyl-2-methyl-)
22240-50-2 structure
Product Name:Benzothiazole,6-ethenyl-2-methyl-
CAS No:22240-50-2
MF:C10H9NS
MW:175.250160932541
CID:250569
Update Time:2024-01-26
Benzothiazole,6-ethenyl-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazole,6-ethenyl-2-methyl-
- Benzothiazole,2-methyl-6-vinyl- (8CI)
- Benzothiazole, 2-methyl-6-vinyl- (8CI)
-
- Inchi： 1S/C10H9NS/c1-3-8-4-5-9-10(6-8)12-7(2)11-9/h3-6H,1H2,2H3
- InChI Key： CWEKIJPGXDKWNG-UHFFFAOYSA-N
- SMILES： S1C2=CC(C=C)=CC=C2N=C1C
Computed Properties
- Exact Mass: 175.04567
- Monoisotopic Mass: 175.046
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 181
- 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-ethenyl-2-methyl- Related Literature
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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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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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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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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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