Ethyl 2-Chlorothiazole-5-carboxylate - CAS 81449-93-6
Catalog: |
BB036652 |
Product Name: |
Ethyl 2-Chlorothiazole-5-carboxylate |
CAS: |
81449-93-6 |
Synonyms: |
Ethyl 2-Chloro-5-thiazolecarboxylate; 5-Thiazolecarboxylic acid, 2-chloro-, ethyl ester; 2-Chloro-5-thiazolecarboxylic acid ethyl ester; 2-Chloro-thiazole-5-carboxylic acid ethyl ester |
IUPAC Name: | ethyl 2-chloro-1,3-thiazole-5-carboxylate |
Description: | Ethyl 2-chlorothiazole-5-carboxylate is an intermediate in the synthesis of 2-Chloro-5-thiazolecarboxylic Acid. It is one of the metabolites of thiamethoxam, clothianidin, and dinotefuran in mice. |
Molecular Weight: | 191.64 |
Molecular Formula: | C6H6ClNO2S |
Canonical SMILES: | CCOC(=O)C1=CN=C(S1)Cl |
InChI: | InChI=1S/C6H6ClNO2S/c1-2-10-5(9)4-3-8-6(7)11-4/h3H,2H2,1H3 |
InChI Key: | IZIJOEOJKFKHQR-UHFFFAOYSA-N |
Boiling Point: | 283.9±32.0 ℃ (Predicted) |
Purity: | ≥95% |
Density: | 1.383±0.06 g/cm3(Predicted) |
Solubility: | Soluble in Chloroform, Dichloromethane, DMSO, Ethyl Acetate |
Appearance: | Colorless Oily Matter |
Storage: | Store at -20 ℃ |
MDL: | MFCD08703267 |
LogP: | 1.97320 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021092240-A1 | Mrgprx2 antagonists for the treatment of inflammatory disorders | 20191105 |
WO-2021062318-A1 | Thiazole carboxamide compounds and use thereof for the treatment of mycobacterial infections | 20190926 |
KR-102274077-B1 | Pyrrolidine derivatives as inhibitor of fibroblast activation protein (fap) and pharmaceutical composition including the same | 20190329 |
KR-20200115934-A | Pyrrolidine derivatives as inhibitor of fibroblast activation protein (fap) and pharmaceutical composition including the same | 20190329 |
EP-2615092-A1 | Heterocyclic amino berbamine derivatives, preparation method and use thereof | 20100910 |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.9807773 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.9807773 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 67.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS