Cas no 168907-78-6 (4-Ethyl 2-methyl 1,3-thiazole-2,4-dicarboxylate)
168907-78-6 structure
Product Name:4-Ethyl 2-methyl 1,3-thiazole-2,4-dicarboxylate
CAS No:168907-78-6
MF:C8H9NO4S
MW:215.226361036301
CID:905112
Update Time:2023-08-02
4-Ethyl 2-methyl 1,3-thiazole-2,4-dicarboxylate Chemical and Physical Properties
Names and Identifiers
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- 2,4-Thiazoledicarboxylicacid,4-ethyl2-methylester(9CI)
- 4-O-ethyl 2-O-methyl 1,3-thiazole-2,4-dicarboxylate
- 4-Ethyl 2-methyl 1,3-thiazole-2,4-dicarboxylate
- 4-ethyl 2-methyl thiazole-2,4-dicarboxylate
- 2,4-THIAZOLEDICARBOXYLIC ACID 4-ETHYL 2-METHYL ESTER
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- Inchi： 1S/C8H9NO4S/c1-3-13-7(10)5-4-14-6(9-5)8(11)12-2/h4H,3H2,1-2H3
- InChI Key： SPPYUISJPUJITL-UHFFFAOYSA-N
- SMILES： S1C=C(C(=O)OCC)N=C1C(=O)OC
Computed Properties
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 233
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.7
- Topological Polar Surface Area: 93.7
4-Ethyl 2-methyl 1,3-thiazole-2,4-dicarboxylate Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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