Cas no 438548-11-9 (4-Methoxy-6-chlorobenzothiazole-2-carbonitrile)
438548-11-9 structure
Product Name:4-Methoxy-6-chlorobenzothiazole-2-carbonitrile
CAS No:438548-11-9
MF:C9H5ClN2OS
MW:224.66679930687
CID:327203
Update Time:2023-08-02
4-Methoxy-6-chlorobenzothiazole-2-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-Benzothiazolecarbonitrile,6-chloro-4-methoxy-
- 2-Benzothiazolecarbonitrile,6-chloro-4-methoxy-(9CI)
- 4-Methoxy-6-chlorobenzothiazole-2-carbonitrile
- 6-chloro-4-methoxybenzo[d]thiazole-2-carbonitrile
- 6-chloro-4-methoxy-1,3-benzothiazole-2-carbonitrile
-
- Inchi： 1S/C9H5ClN2OS/c1-13-6-2-5(10)3-7-9(6)12-8(4-11)14-7/h2-3H,1H3
- InChI Key： HDDHSDXEMPWQSH-UHFFFAOYSA-N
- SMILES： ClC1C=C(C2=C(C=1)SC(C#N)=N2)OC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 267
- Topological Polar Surface Area: 74.2
4-Methoxy-6-chlorobenzothiazole-2-carbonitrile Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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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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