Cas no 869950-31-2 (4-Ethyl-5-(4-methylphenyl)thiophene-2-carboxylic Acid)

4-Ethyl-5-(4-methylphenyl)thiophene-2-carboxylic Acid structure
869950-31-2 structure
Product Name:4-Ethyl-5-(4-methylphenyl)thiophene-2-carboxylic Acid
CAS No:869950-31-2
MF:C14H14O2S
MW:246.324762821198
MDL:MFCD05861654
CID:3059693
PubChem ID:7018632
Update Time:2025-04-21

4-Ethyl-5-(4-methylphenyl)thiophene-2-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 4-Ethyl-5- p -tolyl-thiophene-2-carboxylic acid
    • BBL010166
    • 869950-31-2
    • MFCD05861654
    • AB01324437-02
    • EN300-83749
    • 4-ethyl-5-(4-methylphenyl)thiophene-2-carboxylic acid
    • UJB95031
    • 4-ethyl-5-(4-methylphenyl)thiophene-2-carboxylicacid
    • STK346774
    • 887-218-7
    • 4-ETHYL-5-(4-METHYLPHENYL)-2-THIOPHENECARBOXYLIC ACID
    • CS-0262799
    • NCGC00328463-01
    • AKOS000311339
    • VS-02352
    • 4-Ethyl-5-(4-methylphenyl)thiophene-2-carboxylic Acid
    • MDL: MFCD05861654
    • Inchi: 1S/C14H14O2S/c1-3-10-8-12(14(15)16)17-13(10)11-6-4-9(2)5-7-11/h4-8H,3H2,1-2H3,(H,15,16)
    • InChI Key: KUUFNHKWKCKRDQ-UHFFFAOYSA-N
    • SMILES: S1C(C(=O)O)=CC(CC)=C1C1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 246.07145086Da
  • Monoisotopic Mass: 246.07145086Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 271
  • 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: 4.3
  • Topological Polar Surface Area: 65.5?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 425.4±45.0 °C at 760 mmHg
  • Flash Point: 211.1±28.7 °C
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

4-Ethyl-5-(4-methylphenyl)thiophene-2-carboxylic Acid Security Information

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