Ethyl (5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetate - CAS 369397-75-1
Catalog: |
BB049510 |
Product Name: |
Ethyl (5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetate |
CAS: |
369397-75-1 |
Synonyms: |
(5,6-Dimethyl-4-oxo-4H-thieno[2,3-d]pyrimidin-3-yl)-acetic acid ethyl ester; Ethyl 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetate; ethyl 2-(5,6-dimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidin-3-yl)acetate |
IUPAC Name: | ethyl 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate |
Description: | Ethyl (5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetate (CAS# 369397-75-1 ) is a useful research chemical. |
Molecular Weight: | 266.32 |
Molecular Formula: | C12H14N2O3S |
Canonical SMILES: | CCOC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C)C |
InChI: | InChI=1S/C12H14N2O3S/c1-4-17-9(15)5-14-6-13-11-10(12(14)16)7(2)8(3)18-11/h6H,4-5H2,1-3H3 |
InChI Key: | TWDUZOSINJICFT-UHFFFAOYSA-N |
Boiling Point: | 437.1±55.0 ℃ at 760 mmHg |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 386 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 266.07251349 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 266.07251349 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 87.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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