Ethyl {[4-(4-methoxyphenyl)pyrimidin-2-YL]thio}acetate - CAS 476211-52-6
Catalog: |
BB047411 |
Product Name: |
Ethyl {[4-(4-methoxyphenyl)pyrimidin-2-YL]thio}acetate |
CAS: |
476211-52-6 |
Synonyms: |
Ethyl 2-((4-(4-methoxyphenyl)pyrimidin-2-yl)thio)acetate |
IUPAC Name: | ethyl 2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylacetate |
Description: | Ethyl {[4-(4-methoxyphenyl)pyrimidin-2-YL]thio}acetate (CAS# 476211-52-6 ) is a useful research chemical. |
Molecular Weight: | 304.36 |
Molecular Formula: | C15H16N2O3S |
Canonical SMILES: | CCOC(=O)CSC1=NC=CC(=N1)C2=CC=C(C=C2)OC |
InChI: | InChI=1S/C15H16N2O3S/c1-3-20-14(18)10-21-15-16-9-8-13(17-15)11-4-6-12(19-2)7-5-11/h4-9H,3,10H2,1-2H3 |
InChI Key: | MPKIZFITFCUNET-UHFFFAOYSA-N |
Complexity: | 322 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 304.08816355 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 304.08816355 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 86.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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