63811-40-5

Basic information

• Product Name: 1-(4-OXO-6-HYDROXY-2-THIOXO-2,3,4,5-TETRAHYDRO-PYRIMIDO-5-YLIDEN)-5-(4,6-DIOXO-2-THIOXO-HEXAHYDRO-PYRIMIDO-5-YL)-PENTADIENE-2,4
• Synonyms: 4,6(1h,5h)-pyrimidinedione,5-[5-(hexahydro-4,6-dioxo-2-thioxo-5-pyrimidinyl)-2;1-(4-OXO-6-HYDROXY-2-THIOXO-2,3,4,5-TETRAHYDRO-PYRIMIDO-5-YLIDEN)-5-(4,6-DIOXO-2-THIOXO-HEXAHYDRO-PYRIMIDO-5-YL)-PENTADIENE-2,4;2,2'-DIMERCAPTO-4,4',6,6'-TETRAHYDROXY-PYRIMIDINO-5,5'PENTAMETHINE OXONOLE;DYE BCH 3221;5-[5-(hexahydro-4,6-dioxo-2-thioxopyrimidin-5-yl)-2,4-pentadienylidene]dihydro-2-thioxo-1H,5H-pyrimidine-4,6-dione;dihydrotetrahydrohydroxyoxothioxopyrimidinylpentadienylide;5-[5-[(Hexahydro-4,6-dioxo-2-thioxopyrimidin)-5-yl]-2,4-pentadien-1-ylidene]dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione;5-[5-[(Hexahydro-4,6-dioxo-2-thioxopyrimidin)-5-yl]-2,4-pentadienylidene]-2,3-dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione
• CAS NO: 63811-40-5
• Molecular Formula: C₁₃H₁₀N₄O₄S₂
• Molecular Weight: 350.37
• EINECS: 264-470-0
• Mol File: 63811-40-5.mol
• Article Data: 0

Chemical Properties

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Appearance: /
• Density: 1.68g/cm³
• Refractive Index: 1.742
• CAS DataBase Reference: 1-(4-OXO-6-HYDROXY-2-THIOXO-2,3,4,5-TETRAHYDRO-PYRIMIDO-5-YLIDEN)-5-(4,6-DIOXO-2-THIOXO-HEXAHYDRO-PYRIMIDO-5-YL)-PENTADIENE-2,4(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-OXO-6-HYDROXY-2-THIOXO-2,3,4,5-TETRAHYDRO-PYRIMIDO-5-YLIDEN)-5-(4,6-DIOXO-2-THIOXO-HEXAHYDRO-PYRIMIDO-5-YL)-PENTADIENE-2,4(63811-40-5)
• EPA Substance Registry System: 1-(4-OXO-6-HYDROXY-2-THIOXO-2,3,4,5-TETRAHYDRO-PYRIMIDO-5-YLIDEN)-5-(4,6-DIOXO-2-THIOXO-HEXAHYDRO-PYRIMIDO-5-YL)-PENTADIENE-2,4(63811-40-5)

Safety Data

• Hazardous Substances Data: 63811-40-5(Hazardous Substances Data)

Usage

Molecular structure

The compound has a complex molecular structure with multiple functional groups and two heterocyclic rings.

Functional groups

The compound contains ketones, hydroxyl groups, and thioxo groups.

Hetrocyclic rings

The compound features a tetrahydro-pyrimido ring and a hexahydro-pyrimido ring in its structure.

Potential pharmaceutical properties

The presence of these groups and rings gives the compound potential pharmaceutical properties.

Bioactivity

The compound may have bioactive properties, making it a subject of interest for further research and investigation.

Molecular weight

The molecular weight of the compound is approximately 360.4 g/mol.

Appearance

The compound is likely to be a solid, based on its molecular weight and complexity.

Solubility

The compound's solubility is not specified, but it may be soluble in organic solvents due to its nonpolar nature.

Stability

The stability of the compound is not specified, but it may be sensitive to heat, light, or moisture due to the presence of multiple functional groups.

Reactivity

The compound may be reactive with strong acids, bases, or oxidizing agents due to the presence of its functional groups.

Synthesis

The synthesis of the compound is not specified, but it may involve the formation of the heterocyclic rings and subsequent functionalization.

Applications

The compound's potential applications are not specified, but it may be used in the development of pharmaceuticals or other bioactive compounds.

Safety

The safety profile of the compound is not specified, but it may have potential hazards due to its complex structure and multiple functional groups.

Environmental impact

The environmental impact of the compound is not specified, but it may be considered a potential pollutant due to its complex structure and potential for bioaccumulation.

InChI:InChI=1/C13H10N4O4S2/c18-8-6(9(19)15-12(22)14-8)4-2-1-3-5-7-10(20)16-13(23)17-11(7)21/h1-6H,(H2,14,15,18,19,22)(H2,16,17,20,21,23)

Upstream product

• 504-17-6 4,6-dihydroxy-2-mercaptopyrimidine 
• 110-86-1 pyridine