Ethyl 6-Methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate - CAS 33458-26-3
Catalog: |
BB021720 |
Product Name: |
Ethyl 6-Methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
CAS: |
33458-26-3 |
Synonyms: |
6-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester; ethyl 6-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate |
IUPAC Name: | ethyl 6-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate |
Description: | Ethyl 6-Methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS# 33458-26-3) is a useful research chemical. |
Molecular Weight: | 276.35 |
Molecular Formula: | C14H16N2O2S |
Canonical SMILES: | CCOC(=O)C1=C(NC(=S)NC1C2=CC=CC=C2)C |
InChI: | InChI=1S/C14H16N2O2S/c1-3-18-13(17)11-9(2)15-14(19)16-12(11)10-7-5-4-6-8-10/h4-8,12H,3H2,1-2H3,(H2,15,16,19) |
InChI Key: | QMFBVGUFEGVPNG-UHFFFAOYSA-N |
Boiling Point: | 390.5 °C at 760 mmHg |
Density: | 1.25 g/cm3 |
MDL: | MFCD00188414 |
LogP: | 2.70010 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112812066-A | Synthesis method of dihydropyrimidinone compounds | 20210115 |
CN-110041349-B | Spiro-containing dihydropyrimidine derivative and preparation method and application thereof | 20190515 |
CN-108059616-B | Synthesis method of 3, 4-dihydropyrimidine-2 (1H) -thioketone | 20180213 |
WO-2012078909-A1 | Thiazolpyrimidine proteostasis regulators | 20101208 |
US-2012046305-A1 | Methods and compositions for treating respiratory disorders | 20080924 |
PMID | Publication Date | Title | Journal |
22410248 | 20120415 | Free radical scavenging and antiproliferative properties of Biginelli adducts | Bioorganic & medicinal chemistry |
18977139 | 20081215 | Synthesis and in vitro evaluation of the antifungal activities of dihydropyrimidinones | Bioorganic & medicinal chemistry letters |
Complexity: | 400 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 276.09324893 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 276.09324893 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 82.4 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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