Ethyl 2-[4-(1,5-dimethylpyrazol-4-yl)pyrimidin-2-ylthio]acetate - CAS 1006323-03-0
Catalog: |
BB042803 |
Product Name: |
Ethyl 2-[4-(1,5-dimethylpyrazol-4-yl)pyrimidin-2-ylthio]acetate |
CAS: |
1006323-03-0 |
Synonyms: |
CTK6F9165; SBB024182; STK351216; ZINC12395036 |
IUPAC Name: | ethyl 2-[4-(1,5-dimethylpyrazol-4-yl)pyrimidin-2-yl]sulfanylacetate |
Description: | Ethyl 2-[4-(1,5-dimethylpyrazol-4-yl)pyrimidin-2-ylthio]acetate (CAS# 1006323-03-0 ) is a useful research chemical. |
Molecular Weight: | 292.36 |
Molecular Formula: | C13H16N4O2S |
Canonical SMILES: | CCOC(=O)CSC1=NC=CC(=N1)C2=C(N(N=C2)C)C |
InChI: | InChI=1S/C13H16N4O2S/c1-4-19-12(18)8-20-13-14-6-5-11(16-13)10-7-15-17(3)9(10)2/h5-7H,4,8H2,1-3H3 |
InChI Key: | ZHZPOBSVVMUBEV-UHFFFAOYSA-N |
Complexity: | 332 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 292.09939694 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 292.09939694 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 95.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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