Ethyl 3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxylate - CAS 438223-65-5
Catalog: |
BB049113 |
Product Name: |
Ethyl 3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxylate |
CAS: |
438223-65-5 |
Synonyms: |
ethyl 3-amino-6-(difluoromethyl)-4-methylthiopheno[2,3-b]pyridine-2-carboxylate; Thieno[2,3-b]pyridine-2-carboxylic acid, 3-amino-6-(difluoromethyl)-4-methyl-, ethyl ester |
IUPAC Name: | ethyl 3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxylate |
Description: | Ethyl 3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxylate (CAS# 438223-65-5 ) is a useful research chemical. |
Molecular Weight: | 286.30 |
Molecular Formula: | C12H12F2N2O2S |
Canonical SMILES: | CCOC(=O)C1=C(C2=C(S1)N=C(C=C2C)C(F)F)N |
InChI: | InChI=1S/C12H12F2N2O2S/c1-3-18-12(17)9-8(15)7-5(2)4-6(10(13)14)16-11(7)19-9/h4,10H,3,15H2,1-2H3 |
InChI Key: | QQVWPTNDWCNUPV-UHFFFAOYSA-N |
Boiling Point: | 406.9±40.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 346 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 286.05875513 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 286.05875513 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 93.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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