Methyl 6-thien-2-ylnicotinate

Base Information

• Chemical Name: Methyl 6-thien-2-ylnicotinate
• CAS No.: 179408-53-8
• Molecular Formula: C₁₁H₉NO₂S
• Molecular Weight: 219.264
• DSSTox Substance ID: DTXSID40591442
• Wikidata: Q82485207
• Mol file: 179408-53-8.mol

Synonyms:Methyl 6-thien-2-ylnicotinate;179408-53-8;methyl 6-thiophen-2-ylpyridine-3-carboxylate;METHYL 6-THIEN-2-YLNICOTINATE 97;methyl 6-(thiophen-2-yl)pyridine-3-carboxylate;methyl 6-(2-thienyl)pyridine-3-carboxylate;SCHEMBL7317667;DTXSID40591442;SXGLIAOLXVLUCM-UHFFFAOYSA-N;Methyl 6-(thiophen-2-yl)nicotinate;MFCD08690297;AKOS015908838;DB-065269;3-Pyridinecarboxylicacid,6-(2-thienyl)-,methyl ester

Chemical Property of Methyl 6-thien-2-ylnicotinate

Chemical Property:

• Vapor Pressure: 0.000136mmHg at 25°C
• Melting Point: 117-118
• Boiling Point: 333.5°Cat760mmHg
• PKA: 2.47±0.10(Predicted)
• Flash Point: 155.5°C
• PSA: 67.43000
• Density: 1.25g/cm³
• LogP: 2.59670
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 219.03539970
• Heavy Atom Count: 15
• Complexity: 235

Purity/Quality:

98%min ^*data from raw suppliers

METHYL 6-THIEN-2-YLNICOTINATE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Harmful:

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CN=C(C=C1)C2=CC=CS2