Benzeneacetonitrile, 2-methyl-α-[2-[[(propylsulfonyl)oxy]imino]-3(2H)-thienylidene]- CAS 852246-55-0; ChemWhat Code: 1415150

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product NameWI-PAG31704
IUPAC Name[[3-[cyano-(2-methylphenyl)methylidene]thiophen-2-ylidene]amino] propane-1-sulfonate 
Molecular StructureStructure of WI-PAG31704 CAS 852246-55-0
CAS Registry Number 852246-55-0
Synonyms852246-55-0
Benzeneacetonitrile, 2-methyl-.alpha.-[2-[[(propylsulfonyl)oxy]imino]-3(2H)-thienylidene]-
Benzeneacetonitrile,2-methyl-alpha-[2-[[(propylsulfonyl)oxy]imino]-3(2H)-thienylidene]-
DTXSID60889217
[[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
Molecular FormulaC16H16N2O3S2 
Molecular Weight348.4
InChIInChI=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 powder
Purity99.80%min
Water ≤0.05%
Metal ion(ppb)AI : ≤100
CA : ≤200
CR : ≤200
CU : ≤100
FE : ≤200
K : ≤100
MG :≤100
MN :≤100
NA :≤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 light
HS Code
StorageStore at room temperature for long time; sealed and away from light
Shelf Life1 year
Druglikeness
Lipinski rules component
Molecular Weight348.447
logP3.36
HBA3
HBD0
Matching Lipinski Rules4
Veber rules component
Polar Surface Area (PSA)113.2
Rotatable Bond (RotB)5
Matching Veber Rules2
Use Pattern
Benzeneacetonitrile, 2-methyl-α-[2-[[(propylsulfonyl)oxy]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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