Cas no 855275-58-0 (Benzothiazole,2-chloro-5-ethoxy-)
855275-58-0 structure
Product Name:Benzothiazole,2-chloro-5-ethoxy-
CAS No:855275-58-0
MF:C9H8ClNOS
MW:213.683919906616
CID:717372
Update Time:2024-01-31
Benzothiazole,2-chloro-5-ethoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazole,2-chloro-5-ethoxy-
- Benzothiazole, 2-chloro-5-ethoxy- (5CI)
- Benzothiazole, 2-chloro-5-ethoxy-
-
- Inchi： 1S/C9H8ClNOS/c1-2-12-6-3-4-8-7(5-6)11-9(10)13-8/h3-5H,2H2,1H3
- InChI Key： GYQOQHPUDZKKHZ-UHFFFAOYSA-N
- SMILES： S1C2=CC=C(OCC)C=C2N=C1Cl
Computed Properties
- Exact Mass: 213.002
- Monoisotopic Mass: 213.002
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- 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
- XLogP3: 4.1
- Topological Polar Surface Area: 50.4A^2
Benzothiazole,2-chloro-5-ethoxy- Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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