Cas no 907545-80-6 (4,5-Thiazoledicarboxylicacid, 2-chloro-, 5-ethyl ester)
907545-80-6 structure
Product Name:4,5-Thiazoledicarboxylicacid, 2-chloro-, 5-ethyl ester
CAS No:907545-80-6
MF:C7H6ClNO4S
MW:235.644839763641
CID:797846
PubChem ID:59208347
Update Time:2025-04-19
4,5-Thiazoledicarboxylicacid, 2-chloro-, 5-ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4,5-Thiazoledicarboxylicacid, 2-chloro-, 5-ethyl ester
- 2-chloro-5-(ethoxycarbonyl)-1,3-thiazole-4-carboxylic acid
- 2-chloro-5-ethoxycarbonyl-1,3-thiazole-4-carboxylic acid
- 4,5-Thiazoledicarboxylicacid,2-chloro-,5-ethylester(9CI)
- 907545-80-6
- SCHEMBL1553046
- ZLVXUPMJBKUPRQ-UHFFFAOYSA-N
- 2-chloro-5-(ethoxy carbonyl)-1,3-thiazole-4-carboxylic acid
- 4,5-thiazoledicarboxylic acid,2-chloro-,5-ethyl ester
- 2-Chloro-5-(ethoxycarbonyl)thiazole-4-carboxylic acid
-
- Inchi： 1S/C7H6ClNO4S/c1-2-13-6(12)4-3(5(10)11)9-7(8)14-4/h2H2,1H3,(H,10,11)
- InChI Key： ZLVXUPMJBKUPRQ-UHFFFAOYSA-N
- SMILES： ClC1=NC(C(=O)O)=C(C(=O)OCC)S1
Computed Properties
- Exact Mass: 234.9706065g/mol
- Monoisotopic Mass: 234.9706065g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 250
- 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: 2.3
- Topological Polar Surface Area: 105?2
4,5-Thiazoledicarboxylicacid, 2-chloro-, 5-ethyl ester Related Literature
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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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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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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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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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