Cas no 50971-49-8 (Methyl 5-p-Tolylthiophene-2-carboxylate)

Methyl 5-p-Tolylthiophene-2-carboxylate structure
50971-49-8 structure
Product Name:Methyl 5-p-Tolylthiophene-2-carboxylate
CAS No:50971-49-8
MF:C13H12O2S
MW:232.298182487488
CID:934542
PubChem ID:2760113
Update Time:2025-04-19

Methyl 5-p-Tolylthiophene-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 5-(P-TOLYL)THIOPHENE-2-CARBOXYLICACIDMETHYLESTER,96
    • Methyl 5-(4-methylphenyl)-2-thiophenecarboxylate
    • Methyl 5-p-Tolylthiophene-2-carboxylate
    • methyl 5-(4-methylphenyl)thiophene-2-carboxylate
    • Methyl5-p-tolylthiophene-2-carboxylate
    • 50971-49-8
    • SCHEMBL12348717
    • DTXSID30965239
    • 5-(P-TOLYL)THIOPHENE-2-CARBOXYLICACIDMETHYLESTER
    • AKOS015860484
    • STL217552
    • 5-(P-TOLYL)THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
    • Z1213725970
    • FS-1690
    • 5-(P-TOLYL)THIOPHENE-2-CARBOXYLICACIDMETHYLESTER,96%
    • MDL: MFCD06201869
    • Inchi: 1S/C13H12O2S/c1-9-3-5-10(6-4-9)11-7-8-12(16-11)13(14)15-2/h3-8H,1-2H3
    • InChI Key: CMVNPQABPHBXIY-UHFFFAOYSA-N
    • SMILES: S1C(C(=O)OC)=CC=C1C1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 232.05580079g/mol
  • Monoisotopic Mass: 232.05580079g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 246
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.8
  • Topological Polar Surface Area: 54.5?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 363.1±30.0 °C at 760 mmHg
  • Flash Point: 173.4±24.6 °C
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

Methyl 5-p-Tolylthiophene-2-carboxylate Security Information

Methyl 5-p-Tolylthiophene-2-carboxylate Pricemore >>

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