Cas no 848555-51-1 (4-Thiazolecarboxylic acid, 5-bromo-2-(1-methylethyl)-, ethyl ester)
848555-51-1 structure
Product Name:4-Thiazolecarboxylic acid, 5-bromo-2-(1-methylethyl)-, ethyl ester
CAS No:848555-51-1
MF:C9H12BrNO2S
MW:278.166080474854
CID:4221896
PubChem ID:58758625
Update Time:2025-04-24
4-Thiazolecarboxylic acid, 5-bromo-2-(1-methylethyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Thiazolecarboxylic acid, 5-bromo-2-(1-methylethyl)-, ethyl ester
- Ethyl 5-bromo-2-isopropylthiazole-4-carboxylate
- 848555-51-1
- SCHEMBL5731919
- CS-0253901
-
- Inchi： 1S/C9H12BrNO2S/c1-4-13-9(12)6-7(10)14-8(11-6)5(2)3/h5H,4H2,1-3H3
- InChI Key： YWEXOJJSEATAKX-UHFFFAOYSA-N
- SMILES： S1C(Br)=C(C(OCC)=O)N=C1C(C)C
Computed Properties
- Exact Mass: 276.97721Da
- Monoisotopic Mass: 276.97721Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 213
- 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: 3.7
- Topological Polar Surface Area: 67.4?2
4-Thiazolecarboxylic acid, 5-bromo-2-(1-methylethyl)-, ethyl ester Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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