Description

Benzeneacetonitrile, 2-methyl-alpha-[2-[[(propylsulfonyl)oxy]imino]-3(2H)-thienylidene]- (CAS No. 852246-55-0) is a high-purity synthetic organic compound with the molecular formula C₁₆H₁₆N₂O₃S₂. This specialized chemical features a unique thienylidene backbone coupled with a benzeneacetonitrile moiety and a propylsulfonyloxyimino functional group, making it a valuable intermediate for pharmaceutical and agrochemical research. Its structural complexity enables applications in heterocyclic chemistry, material science, and bioactive compound development. Available in rigorously tested batches, this compound is ideal for researchers requiring precise molecular building blocks for advanced synthesis. Packaged under inert conditions to ensure stability and purity.

Properties

• CAS Number: 852246-55-0
• Complexity: 678
• IUPAC Name: [[3-[cyano(o-tolyl)methylene]-2-thienylidene]amino] propane-1-sulfonate
• InChI: InChI=1S/C16H16N2O3S2/c1-3-10-23(19,20)21-18-16-14(8-9-22-16)15(11-17)13-7-5-4-6-12(13)2/h4-9H,3,10H2,1-2H3
• InChI Key: PYKXYIPEUCVBIB-UHFFFAOYSA-N
• Exact Mass: 348.06023472
• Molecular Formula: C16H16N2O3S2
• Molecular Weight: 348.4
• SMILES: CCCS(=O)(=O)ON=C1C(=C(C#N)C2=CC=CC=C2C)C=CS1
• Topological: 113
• Monoisotopic Mass: 348.06023472
• Synonyms: 852246-55-0, DTXSID60889217, Benzeneacetonitrile, 2-methyl-.alpha.-[2-[[(propylsulfonyl)oxy]imino]-3(2H)-thienylidene]-, Benzeneacetonitrile, 2-methyl-alpha-[2-[[(propylsulfonyl)oxy]imino]-3(2H)-thienylidene]-, 2-Methyl-alpha-[2-[[(propylsulfonyl)oxy]imino]-3(2h)-thienylidene]benzeneacetonitrile, 2-Methyl-alpha-(2-(((propylsulfonyl)oxy)imino)-3(2H)-thienylidene)benzeneacetonitrile, Benzeneacetonitrile, 2-methyl-alpha-(2-(((propylsulfonyl)oxy)imino)-3(2H)-thienylidene)-, DTXCID501028484, 457-540-9, 2-(propylsulfonyloxyazanylidene)-2,3-dihydrothiophen-3-ylidene](o-toluenyl)ethanenitrile, Benzeneacetonitrile,2-methyl-alpha-[2-[[(propylsulfonyl)oxy]imino]-3(2H)-thienylidene]-, SCHEMBL1920470, PYKXYIPEUCVBIB-UHFFFAOYSA-N, DB-150332, [[3-[cyano-(2-methylphenyl)methylidene]thiophen-2-ylidene]amino] propane-1-sulfonate, [(Z)-[(3Z)-3-[cyano-(2-methylphenyl)methylidene]thiophen-2-ylidene]amino] propane-1-sulfonate

This compound serves as a versatile intermediate in the synthesis of heterocyclic compounds, particularly in the development of novel thiophene-based pharmaceuticals. Researchers utilize it in studies involving sulfonylimino derivatives for potential antimicrobial or agrochemical applications. Its reactivity makes it suitable for exploring new organic electronic materials or as a ligand precursor in coordination chemistry.

Safety and Hazards

GHS Hazard Statements

• H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

Precautionary Statements

• P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501

Hazard Classes and Categories

• Skin Sens. 1 (100%)

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