Ethyl 2-[(3-Bromo-4-pyridyl)thio]-2-methylpropanoate - CAS 1352794-86-5
Catalog: |
BB008121 |
Product Name: |
Ethyl 2-[(3-Bromo-4-pyridyl)thio]-2-methylpropanoate |
CAS: |
1352794-86-5 |
Synonyms: |
2-[(3-bromo-4-pyridinyl)thio]-2-methylpropanoic acid ethyl ester; ethyl 2-(3-bromopyridin-4-yl)sulfanyl-2-methylpropanoate |
IUPAC Name: | ethyl 2-(3-bromopyridin-4-yl)sulfanyl-2-methylpropanoate |
Description: | Ethyl 2-[(3-Bromo-4-pyridyl)thio]-2-methylpropanoate (CAS# 1352794-86-5) is a useful research chemical. |
Molecular Weight: | 304.20 |
Molecular Formula: | C11H14BrNO2S |
Canonical SMILES: | CCOC(=O)C(C)(C)SC1=C(C=NC=C1)Br |
InChI: | InChI=1S/C11H14BrNO2S/c1-4-15-10(14)11(2,3)16-9-5-6-13-7-8(9)12/h5-7H,4H2,1-3H3 |
InChI Key: | UFKIVTJCWTUKBY-UHFFFAOYSA-N |
LogP: | 3.27790 |
Publication Number | Title | Priority Date |
AU-2012332154-A1 | 3,4-di-substituted pyridine compound, methods of using and compositions comprising the same | 20111103 |
AU-2012332154-B2 | 3,4-di-substituted pyridine compound, methods of using and compositions comprising the same | 20111103 |
CA-2852490-A1 | 3,4-di-substituted pyridine compound to reduce serum uric acid levels | 20111103 |
DK-2776028-T3 | 3,4-DISUBSTITUTED PYRIDIDE COMPOUND, PROCEDURES FOR USING IT AND COMPOSITIONS INCLUDING THIS | 20111103 |
EP-2776028-A1 | 3,4-di-substituted pyridine compound, methods of using and compositions comprising the same | 20111103 |
Complexity: | 248 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 302.99286 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 302.99286 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 64.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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