ethyl 3-methyl-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate

Base Information

• Chemical Name: ethyl 3-methyl-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate
• CAS No.: 7506-89-0
• Molecular Formula: C8H10N2O3S
• Molecular Weight: 214.245
• NSC Number: 407836
• DSSTox Substance ID: DTXSID50398363
• Nikkaji Number: J1.413.255D

Synonyms:NSC407836;7506-89-0;ethyl 3-methyl-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate;SCHEMBL7543900;DTXSID50398363;AKOS024618919;NSC-407836;F1967-0959;ethyl 2-mercapto-1-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxylate;1-Methyl-2-thioxo-6-oxo-1,2,3,6-tetrahydropyrimidine-5-carboxylic acid ethyl ester

Chemical Property of ethyl 3-methyl-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate

Chemical Property:

• Vapor Pressure: 0.000745mmHg at 25°C
• Boiling Point: 307°Cat760mmHg
• Flash Point: 139.5°C
• Density: 1.37g/cm³
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 214.04121336
• Heavy Atom Count: 14
• Complexity: 325

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CNC(=S)N(C1=O)C

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