Ethyl 2-(2-Amino-4-thiazolyl)-2-oxoacetate - CAS 64987-08-2
Catalog: |
BB032608 |
Product Name: |
Ethyl 2-(2-Amino-4-thiazolyl)-2-oxoacetate |
CAS: |
64987-08-2 |
Synonyms: |
2-(2-amino-4-thiazolyl)-2-oxoacetic acid ethyl ester; ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetate |
IUPAC Name: | ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetate |
Description: | Ethyl 2-(2-Amino-4-thiazolyl)-2-oxoacetate (CAS# 64987-08-2) is used in the synthesis of antibacterial compounds. Also used in the synthesis of antiallergic and antiinflammatory agents, as glycolic amide derivatives. |
Molecular Weight: | 200.22 |
Molecular Formula: | C7H8N2O3S |
Canonical SMILES: | CCOC(=O)C(=O)C1=CSC(=N1)N |
InChI: | InChI=1S/C7H8N2O3S/c1-2-12-6(11)5(10)4-3-13-7(8)9-4/h3H,2H2,1H3,(H2,8,9) |
InChI Key: | XNVRKLCQBZTGNA-UHFFFAOYSA-N |
Boiling Point: | 361.6 °C at 760 mmHg |
Density: | 1.405 g/cm3 |
MDL: | MFCD00010414 |
LogP: | 1.05230 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112010821-A | Recovery method of ethyl aminothiazoly loximate | 20200929 |
CN-110372631-B | Preparation method of aminothiazoly loximate acetaldehyde | 20190724 |
CN-111171014-A | Monocyclic lactam compounds and uses thereof | 20181113 |
WO-2020098635-A1 | Monobactam compounds and use therefor | 20181113 |
CN-112771040-A | Monocyclic lactam compounds and uses thereof | 20181113 |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.02556330 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.02556330 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 111 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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