![Benzeneacetonitrile, 2-methyl-α-[2-[[(propylsulfonyl)oxy]imino]-3(2H)-thienylidene]- CAS 852246-55-0](https://www.chemwhat.com/wp-content/uploads/2023/08/Structure-of-WI-PAG31704-CAS-852246-55-0.png)
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.
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