2-Mercapto-1,5,7-trimethylpyrido[2,3-D]pyrimidin-4(1H)-one - CAS 384342-02-3
Catalog: |
BB049153 |
Product Name: |
2-Mercapto-1,5,7-trimethylpyrido[2,3-D]pyrimidin-4(1H)-one |
CAS: |
384342-02-3 |
Synonyms: |
1,5,7-trimethyl-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one; Pyrido[2,3-d]pyrimidin-4(1H)-one, 2,3-dihydro-1,5,7-trimethyl-2-thioxo-; 1,5,7-trimethyl-2-sulfanyl-1H,4H-pyrido[2,3-d]pyrimidin-4-one; 1,5,7-trimethyl-2-sulfanylhydropyridino[2,3-d]pyrimidin-4-one |
IUPAC Name: | 1,5,7-trimethyl-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one |
Description: | 2-Mercapto-1,5,7-trimethylpyrido[2,3-D]pyrimidin-4(1H)-one (CAS# 384342-02-3 ) is a useful research chemical. |
Molecular Weight: | 221.28 |
Molecular Formula: | C10H11N3OS |
Canonical SMILES: | CC1=CC(=NC2=C1C(=O)NC(=S)N2C)C |
InChI: | InChI=1S/C10H11N3OS/c1-5-4-6(2)11-8-7(5)9(14)12-10(15)13(8)3/h4H,1-3H3,(H,12,14,15) |
InChI Key: | CLNUGICORCVFAB-UHFFFAOYSA-N |
Boiling Point: | 403.0±55.0 °C at 760 mmHg |
Density: | 1.36±0.1 g/cm3 (Predicted) |
Complexity: | 307 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.06228316 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.06228316 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 77.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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