Methyl 5-cyano-6-(2,2-difluoroethylthio)-2-(dimethoxymethyl)nicotinate

Base Information

• Chemical Name: Methyl 5-cyano-6-(2,2-difluoroethylthio)-2-(dimethoxymethyl)nicotinate
• CAS No.: 864685-31-4
• Molecular Formula: C13H14 F2 N2 O4 S
• Molecular Weight: 332.3230664
• DSSTox Substance ID: DTXSID10592345
• Wikidata: Q82486411
• Mol file: 864685-31-4.mol

Synonyms:864685-31-4;METHYL 5-CYANO-6-(2,2-DIFLUOROETHYLTHIO)-2-(DIMETHOXYMETHYL)NICOTINATE;DTXSID10592345;DB-370946;Methyl 5-cyano-6-[(2,2-difluoroethyl)sulfanyl]-2-(dimethoxymethyl)pyridine-3-carboxylate

Chemical Property of Methyl 5-cyano-6-(2,2-difluoroethylthio)-2-(dimethoxymethyl)nicotinate

Chemical Property:

• PSA: 106.74000
• LogP: 2.38848
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 332.06423443
• Heavy Atom Count: 22
• Complexity: 414

Purity/Quality:

95% ^*data from raw suppliers

METHYL-5-CYANO-6-(2,2-DIFLUOROETHYLTHIO)-2-(DIMETHOXYMETHYL)NICOTINATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(C1=C(C=C(C(=N1)SCC(F)F)C#N)C(=O)OC)OC