6-Amino-1-(3-methylphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one - CAS 347319-41-9
Catalog: |
BB049114 |
Product Name: |
6-Amino-1-(3-methylphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one |
CAS: |
347319-41-9 |
Synonyms: |
6-Amino-2-thioxo-1-(m-tolyl)-2,3-dihydropyrimidin-4(1H)-one; 6-amino-1-(3-methylphenyl)-2-thioxo-1,3-dihydropyrimidin-4-one; 6-amino-1-(3-methylphenyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone; 6-amino-1-(3-methylphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one; 4(1H)-Pyrimidinone, 6-amino-2,3-dihydro-1-(3-methylphenyl)-2-thioxo- |
IUPAC Name: | 6-amino-1-(3-methylphenyl)-2-sulfanylidenepyrimidin-4-one |
Description: | 6-Amino-1-(3-methylphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS# 347319-41-9 ) is a useful research chemical. |
Molecular Weight: | 233.29 |
Molecular Formula: | C11H11N3OS |
Canonical SMILES: | CC1=CC(=CC=C1)N2C(=CC(=O)NC2=S)N |
InChI: | InChI=1S/C11H11N3OS/c1-7-3-2-4-8(5-7)14-9(12)6-10(15)13-11(14)16/h2-6H,12H2,1H3,(H,13,15,16) |
InChI Key: | PKMPTXDZDXAWHS-UHFFFAOYSA-N |
Purity: | ≥ 95 % |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 353 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.06228316 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.06228316 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 90.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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