3602-13-9

Basic information

• Product Name: 1-benzyl-2-(propan-2-ylsulfanyl)-5,6-dihydro-1H-imidazo[4,5-d]pyridazine-4,7-dione
• CAS NO: 3602-13-9
• Molecular Formula: C₁₅H₁₆N₄O₂S
• Molecular Weight: 316.3781
• Mol File: 3602-13-9.mol
• Article Data: 0

Chemical Properties

• Boiling Point: 641.7°C at 760 mmHg
• Flash Point: 341.9°C
• Density: 1.43g/cm³
• Vapor Pressure: 4.61E-17mmHg at 25°C
• Refractive Index: 1.71
• CAS DataBase Reference: 1-benzyl-2-(propan-2-ylsulfanyl)-5,6-dihydro-1H-imidazo[4,5-d]pyridazine-4,7-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 1-benzyl-2-(propan-2-ylsulfanyl)-5,6-dihydro-1H-imidazo[4,5-d]pyridazine-4,7-dione(3602-13-9)
• EPA Substance Registry System: 1-benzyl-2-(propan-2-ylsulfanyl)-5,6-dihydro-1H-imidazo[4,5-d]pyridazine-4,7-dione(3602-13-9)

Safety Data

• Hazardous Substances Data: 3602-13-9(Hazardous Substances Data)

Usage

Molecular Weight

350.43 g/mol

Benzyl group

A phenyl group attached to a methyl group (C6H5-CH2-)

Propan-2-ylsulfanyl group

A propan-2-yl group (CH3-CH(SH)-CH3) with a sulfur atom attached to the middle carbon

Imidazo[4,5-d]pyridazine-4,7-dione core

A fused ring system consisting of an imidazole and a pyridazine ring, with a carbonyl group (C=O) at positions 4 and 7

Aromatic ring

Benzene ring (C6H5) in the benzyl group

Sulfanyl group

SH group in the propan-2-ylsulfanyl group

Carbonyl groups

Two C=O groups in the imidazo[4,5-d]pyridazine-4,7-dione core

Pharmaceutical applications

Due to its unique structure, it may interact with biological targets in the body

Further research needed

To fully understand the properties and potential uses of the compound

Solubility

Not mentioned in the material provided, but it may be soluble in organic solvents like ethanol or dimethyl sulfoxide (DMSO) due to its nonpolar aromatic and aliphatic groups

Stability

Not mentioned in the material provided, but the compound may be sensitive to oxidation or hydrolysis due to the presence of the sulfur-containing group and carbonyl groups

Reactivity

The compound may react with nucleophiles, electrophiles, or oxidizing agents, depending on the reaction conditions and the specific reagents used

Synthesis

Not mentioned in the material provided, but the synthesis of this compound would likely involve multiple steps, including the formation of the imidazo[4,5-d]pyridazine-4,7-dione core, followed by the introduction of the benzyl and propan-2-ylsulfanyl groups

Purity

Not mentioned in the material provided, but the purity of the compound would depend on the synthesis method and purification techniques used. Analytical methods like mass spectrometry, nuclear magnetic resonance (NMR), and high-performance liquid chromatography (HPLC) could be used to determine the purity and confirm the structure of the compound.