5-(2-Pyridylmethylene)-2-thiobarbituric acid

Base Information

• Chemical Name: 5-(2-Pyridylmethylene)-2-thiobarbituric acid
• CAS No.: 73664-50-3
• Molecular Formula: C10H7 N3 O2 S
• Molecular Weight: 233.25
• Hs Code.: 2933990090
• European Community (EC) Number: 654-245-9
• NSC Number: 89387
• UNII: FHM849CYS5
• DSSTox Substance ID: DTXSID60223899
• Nikkaji Number: J105.756A
• Mol file: 73664-50-3.mol

Synonyms:73664-50-3;5-(2-Pyridylmethylene)-2-thiobarbituric acid;5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione;BARBITURIC ACID, 5-((2-PYRIDYL)METHYLENE)-2-THIO-;NSC 89387;Barbituric acid, 5-(2-pyridylmethylent)-2-thio-;FHM849CYS5;4,6(1H,5H)-Pyrimidinedione, dihydro-5-(2-pyridinylmethylene)-2-thioxo-;NSC-89387;NSC89387;5-PICOLINYLIDENE-2-THIOBARBITURIC ACID;UNII-FHM849CYS5;NCIOpen2_005524;DTXSID60223899;AKOS024332775;WLN: T6NJ B1U- CT6MVYVMYJ FUS;LS-24657;4,5H)-Pyrimidinedione, dihydro-5-(2-pyridinylmethylene)-2-thioxo-;2,3-Dihydro-5-[(2-pyridyl)methylene]-2-thioxo-4,6(1H,5H)-pyrimidinedione;5-(Pyridin-2-ylmethylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione;DIHYDRO-5-(2-PYRIDINYLMETHYLENE)-2-THIOXO-4,6(1H,5H)-PYRIMIDINEDIONE

Chemical Property of 5-(2-Pyridylmethylene)-2-thiobarbituric acid

Chemical Property:

• PSA: 103.18000
• Density: 1.51g/cm³
• LogP: 0.65350
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 233.02589765
• Heavy Atom Count: 16
• Complexity: 356

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-PICOLINYLIDENE-2-THIOBARBITURIC ACID Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NC(=C1)C=C2C(=O)NC(=S)NC2=O