2-Mercapto-1-(2-methoxyphenyl)pyrimidine-4,6(1H,5H)-dione - CAS 330839-22-0
Catalog: |
BB049152 |
Product Name: |
2-Mercapto-1-(2-methoxyphenyl)pyrimidine-4,6(1H,5H)-dione |
CAS: |
330839-22-0 |
Synonyms: |
1-(2-methoxyphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione; 3-(2-methoxyphenyl)-2-sulfanyl-3,5-dihydropyrimidine-4,6-dione; 4,6(1H,5H)-pyrimidinedione, 2-mercapto-1-(2-methoxyphenyl)-; 1-(2-Methoxyphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione |
IUPAC Name: | 1-(2-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
Description: | 2-Mercapto-1-(2-methoxyphenyl)pyrimidine-4,6(1H,5H)-dione (CAS# 330839-22-0 ) is a useful research chemical. |
Molecular Weight: | 250.28 |
Molecular Formula: | C11H10N2O3S |
Canonical SMILES: | COC1=CC=CC=C1N2C(=O)CC(=O)NC2=S |
InChI: | InChI=1S/C11H10N2O3S/c1-16-8-5-3-2-4-7(8)13-10(15)6-9(14)12-11(13)17/h2-5H,6H2,1H3,(H,12,14,17) |
InChI Key: | WFBFJACLEUTVGF-UHFFFAOYSA-N |
Purity: | ≥ 95 % |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 359 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.04121336 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.04121336 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 90.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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