2-Mercapto-1-methylpyrido[2,3-d]pyrimidin-4(1H)-one - CAS 89374-52-7
Catalog: |
BB048173 |
Product Name: |
2-Mercapto-1-methylpyrido[2,3-d]pyrimidin-4(1H)-one |
CAS: |
89374-52-7 |
Synonyms: |
Pyrido[2,3-d]pyrimidin-4(1H)-one, 2,3-dihydro-1-methyl-2-thioxo-; 1-methyl-2-sulfanylidene-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-4-one |
IUPAC Name: | 1-methyl-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one |
Description: | 2-Mercapto-1-methylpyrido[2,3-d]pyrimidin-4(1H)-one (CAS# 89374-52-7 ) is a useful research chemical. |
Molecular Weight: | 193.23 |
Molecular Formula: | C8H7N3OS |
Canonical SMILES: | CN1C2=C(C=CC=N2)C(=O)NC1=S |
InChI: | InChI=1S/C8H7N3OS/c1-11-6-5(3-2-4-9-6)7(12)10-8(11)13/h2-4H,1H3,(H,10,12,13) |
InChI Key: | CDFMUHKVAPCMQW-UHFFFAOYSA-N |
Purity: | 98 % by HPLC |
Complexity: | 256 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.03098303 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.03098303 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 77.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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