Diethyl 4,5-Thiazoledicarboxylate - CAS 18940-72-2
Catalog: |
BB014622 |
Product Name: |
Diethyl 4,5-Thiazoledicarboxylate |
CAS: |
18940-72-2 |
Synonyms: |
thiazole-4,5-dicarboxylic acid diethyl ester; diethyl 1,3-thiazole-4,5-dicarboxylate |
IUPAC Name: | diethyl 1,3-thiazole-4,5-dicarboxylate |
Description: | Diethyl 4,5-Thiazoledicarboxylate can be prepared to use as antibacterial agents. |
Molecular Weight: | 229.25 |
Molecular Formula: | C9H11NO4S |
Canonical SMILES: | CCOC(=O)C1=C(SC=N1)C(=O)OCC |
InChI: | InChI=1S/C9H11NO4S/c1-3-13-8(11)6-7(15-5-10-6)9(12)14-4-2/h5H,3-4H2,1-2H3 |
InChI Key: | RGPLYCBCMRYODB-UHFFFAOYSA-N |
LogP: | 1.49650 |
Publication Number | Title | Priority Date |
EP-2699617-A1 | Conjugated polymers | 20110418 |
WO-2012143081-A1 | Conjugated polymers | 20110418 |
TW-201111380-A | Heterocyclic urea derivatives and methods of use thereof | 20090826 |
CN-101193891-A | 2-thioethenyl substituted carbapenem derivatives | 20050412 |
EP-1870412-A1 | 2-thioethenyl carbapenem derivative | 20050412 |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.04087901 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.04087901 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 93.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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