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

Base Information

• Chemical Name: Methyl 5-cyano-2-(dimethoxymethyl)-6-(2,2,2-trifluoroethylthio)nicotinate
• CAS No.: 864685-30-3
• Molecular Formula: C13H13 F3 N2 O4 S
• Molecular Weight: 350.3135296
• DSSTox Substance ID: DTXSID50592344
• Wikidata: Q82486410
• Mol file: 864685-30-3.mol

Synonyms:864685-30-3;METHYL 5-CYANO-2-(DIMETHOXYMETHYL)-6-(2,2,2-TRIFLUOROETHYLTHIO)NICOTINATE;DTXSID50592344;DB-370943;Methyl 5-cyano-2-(dimethoxymethyl)-6-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-3-carboxylate

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

Chemical Property:

• PSA: 106.74000
• LogP: 2.68568
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 350.05481256
• Heavy Atom Count: 23
• Complexity: 450

Purity/Quality:

97% ^*data from raw suppliers

METHYL-5-CYANO-2-(DIMETHOXYMETHYL)-6-(2,2,2-TRIFLUOROETHYLTHIO)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)F)C#N)C(=O)OC)OC