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Benzeneacetonitrile, 2-methyl-α-[2-[[(propylsulfonyl)oxy]imino]-3(2H)-thienylidene]- CAS 852246-55-0
IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product NameWI-PAG31704IUPAC Namethiophen-2-ylidene]amino] propane-1-sulfonate Molecular StructureCAS Registry Number 852246-55-0Synonyms852246-55-0Benzeneacetonitrile, 2-methyl-.alpha.-imino]-3(2H)-thienylidene]-Benzeneacetonitrile,2-methyl-alpha-imino]-3(2H)-thienylidene]-DTXSID60889217thiophen-2-ylidene]amino] propane-1-sulfonatethiophen-2-ylidene]amino] propane-1-sulfonateMolecular FormulaC16H16N2O3S2 Molecular Weight348.4InChIInChI=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  Isomeric SMILESCCCS(=O)(=O)ON=C1C(=C(C#N)C2=CC=CC=C2C)C=CS1  

Physical Data

AppearanceYellow powderPurity99.80%minWater ≤0.05%Metal ion（ppb）AI : ≤100CA : ≤200CR : ≤200CU : ≤100FE : ≤200K : ≤100MG ：≤100MN ：≤100NA ：≤200

Spectra

Description (UV/VIS Spectroscopy)Solvent (UV/VIS Spectroscopy)Spectrumacetonitrile

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

TransportationStore at room temperature for long time; sealed and away from lightHS CodeStorageStore at room temperature for long time; sealed and away from lightShelf Life1 year

DruglikenessLipinski rules componentMolecular Weight348.447logP3.36HBA3HBD0Matching Lipinski Rules4Veber rules componentPolar Surface Area (PSA)113.2Rotatable Bond (RotB)5Matching Veber Rules2

Use PatternBenzeneacetonitrile, 2-methyl-α-imino]-3(2H)-thienylidene]- can be used in OLED and other electronic fields.And it is added to photoresists to increase their sensitivity to ultraviolet (UV) light. When the resist is exposed to UV light, PAG 103 generates acid, initiating chemical reactions within the photoresist.Under UV light exposure, PAG 103 produces acid. This acid acts as a catalyst within the photoresist, promoting reactions such as crosslinking, polymerization, or degradation.Under UV light exposure, PAG 103 produces acid. This acid acts as a catalyst within the photoresist, promoting reactions such as crosslinking, polymerization, or degradation.
https://www.chemwhat.com/benzeneacetonitrile-2-methyl-%ce%b1-2-propylsulfonyloxyimino-32h-thienylidene-cas-852246-55-0/

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