Ethyl 2-Methylthiazole-5-carboxylate - CAS 79836-78-5
Catalog: |
BB036415 |
Product Name: |
Ethyl 2-Methylthiazole-5-carboxylate |
CAS: |
79836-78-5 |
Synonyms: |
2-methyl-5-thiazolecarboxylic acid ethyl ester; ethyl 2-methyl-1,3-thiazole-5-carboxylate |
IUPAC Name: | ethyl 2-methyl-1,3-thiazole-5-carboxylate |
Description: | Ethyl 2-Methylthiazole-5-carboxylate (CAS# 79836-78-5) is a useful research chemical. |
Molecular Weight: | 171.22 |
Molecular Formula: | C7H9NO2S |
Canonical SMILES: | CCOC(=O)C1=CN=C(S1)C |
InChI: | InChI=1S/C7H9NO2S/c1-3-10-7(9)6-4-8-5(2)11-6/h4H,3H2,1-2H3 |
InChI Key: | ORCQTMZHDQSNOJ-UHFFFAOYSA-N |
Boiling Point: | 242.127 °C at 760 mmHg |
Density: | 1.199 g/cm3 |
MDL: | MFCD03840442 |
LogP: | 1.62820 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021083182-A1 | Uricosuric agent, synthetic method therefor, and pharmaceutical application thereof | 20191028 |
AU-2018227811-A1 | Cyclic sulfamide compounds and methods of using same | 20170302 |
CA-3055194-A1 | Cyclic sulfamide compounds and methods of using same | 20170302 |
CN-110621672-A | Cyclic sulfonamide compounds and methods of use thereof | 20170302 |
EP-3589630-A1 | Cyclic sulfamide compounds and methods of using same | 20170302 |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.0353997 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.0353997 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 67.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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