6-Amino-1-(2-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one - CAS 180028-94-8
Catalog: |
BB049115 |
Product Name: |
6-Amino-1-(2-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one |
CAS: |
180028-94-8 |
Synonyms: |
6-amino-1-(2-methoxy-phenyl)-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one; 6-Amino-1-(2-methoxyphenyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone; 4(1H)-Pyrimidinone, 6-amino-2,3-dihydro-1-(2-methoxyphenyl)-2-thioxo-; 6-amino-1-(2-methoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one |
IUPAC Name: | 6-amino-1-(2-methoxyphenyl)-2-sulfanylidenepyrimidin-4-one |
Description: | 6-Amino-1-(2-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS# 180028-94-8 ) is a useful research chemical. |
Molecular Weight: | 249.29 |
Molecular Formula: | C11H11N3O2S |
Canonical SMILES: | COC1=CC=CC=C1N2C(=CC(=O)NC2=S)N |
InChI: | InChI=1S/C11H11N3O2S/c1-16-8-5-3-2-4-7(8)14-9(12)6-10(15)13-11(14)17/h2-6H,12H2,1H3,(H,13,15,17) |
InChI Key: | CCYIETUVTRBBDU-UHFFFAOYSA-N |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 370 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.05719778 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.05719778 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 99.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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