7-Cyclopropyl-1-ethyl-2-mercapto-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylic acid - CAS 938002-51-8
Catalog: |
BB049155 |
Product Name: |
7-Cyclopropyl-1-ethyl-2-mercapto-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylic acid |
CAS: |
938002-51-8 |
Synonyms: |
7-cyclopropyl-1-ethyl-4-oxo-2-sulfanyl-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylic acid; 7-cyclopropyl-1-ethyl-4-oxo-2-sulfanylhydropyridino[2,3-d]pyrimidine-5-carboxylic acid; pyrido[2,3-d]pyrimidine-5-carboxylic acid, 7-cyclopropyl-1-ethyl-1,4-dihydro-2-mercapto-4-oxo-; 7-cyclopropyl-1-ethyl-4-oxo-2-sulfanyl-1H,4H-pyrido[2,3-d]pyrimidine-5-carboxylic acid |
IUPAC Name: | 7-cyclopropyl-1-ethyl-4-oxo-2-sulfanylidenepyrido[2,3-d]pyrimidine-5-carboxylic acid |
Description: | 7-Cyclopropyl-1-ethyl-2-mercapto-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylic acid (CAS# 938002-51-8 ) is a useful research chemical. |
Molecular Weight: | 291.33 |
Molecular Formula: | C13H13N3O3S |
Canonical SMILES: | CCN1C2=C(C(=CC(=N2)C3CC3)C(=O)O)C(=O)NC1=S |
InChI: | InChI=1S/C13H13N3O3S/c1-2-16-10-9(11(17)15-13(16)20)7(12(18)19)5-8(14-10)6-3-4-6/h5-6H,2-4H2,1H3,(H,18,19)(H,15,17,20) |
InChI Key: | UXBPJYPGWGPPNI-UHFFFAOYSA-N |
Boiling Point: | 601.8±65.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.7±0.1 g/cm3 |
Complexity: | 466 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 291.06776246 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 291.06776246 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 115 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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