Cas no 32783-60-1 (5-Benzothiazolecarboxylicacid, 2-ethyl-, methyl ester)
32783-60-1 structure
Product Name:5-Benzothiazolecarboxylicacid, 2-ethyl-, methyl ester
CAS No:32783-60-1
MF:C11H11NO2S
MW:221.275541543961
CID:293846
PubChem ID:45077623
Update Time:2025-04-19
5-Benzothiazolecarboxylicacid, 2-ethyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Benzothiazolecarboxylicacid, 2-ethyl-, methyl ester
- 5-Benzothiazolecarboxylicacid,2-ethyl-,methylester(8CI,9CI)
- methyl 2-ethyl-1,3-benzothiazole-5-carboxylate
- 32783-60-1
- 5-benzothiazolecarboxylic acid,2-ethyl-,methyl ester
- SCHEMBL13447882
- methyl 2-ethylbenzo[d]thiazole-5-carboxylate
- methyl2-ethylbenzo[d]thiazole-5-carboxylate
-
- Inchi： 1S/C11H11NO2S/c1-3-10-12-8-6-7(11(13)14-2)4-5-9(8)15-10/h4-6H,3H2,1-2H3
- InChI Key： ZMHVCSROHAOEMG-UHFFFAOYSA-N
- SMILES： S1C(CC)=NC2C=C(C(=O)OC)C=CC1=2
Computed Properties
- Exact Mass: 221.05104977g/mol
- Monoisotopic Mass: 221.05104977g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 247
- 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: 3.1
- Topological Polar Surface Area: 67.4?2
5-Benzothiazolecarboxylicacid, 2-ethyl-, methyl ester Related Literature
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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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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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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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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