Cas no 648412-51-5 (2-Thiophenecarboxylic acid, 4-amino-5-cyano-, methyl ester)

2-Thiophenecarboxylic acid, 4-amino-5-cyano-, methyl ester structure
648412-51-5 structure
Product Name:2-Thiophenecarboxylic acid, 4-amino-5-cyano-, methyl ester
CAS No:648412-51-5
MF:C7H6N2O2S
MW:182.199739933014
MDL:MFCD20702628
CID:415402
PubChem ID:68825738
Update Time:2025-04-19

2-Thiophenecarboxylic acid, 4-amino-5-cyano-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • 2-Thiophenecarboxylic acid, 4-amino-5-cyano-, methyl ester
    • methyl 4-amino-5-cyanothiophene-2-carboxylate
    • methyl 4-amino-5-cyano-thiophene-2-carboxylate
    • Methyl4-aMino-5-cyanothiophene-2-carboxylate
    • F21165
    • 648412-51-5
    • A914064
    • MFCD20702628
    • SCHEMBL3882730
    • DTXSID30739114
    • BSBPCVALLYUGHK-UHFFFAOYSA-N
    • SY266157
    • DB-087652
    • MDL: MFCD20702628
    • Inchi: 1S/C7H6N2O2S/c1-11-7(10)5-2-4(9)6(3-8)12-5/h2H,9H2,1H3
    • InChI Key: BSBPCVALLYUGHK-UHFFFAOYSA-N
    • SMILES: S1C(C#N)=C(C=C1C(=O)OC)N

Computed Properties

  • Exact Mass: 182.01500
  • Monoisotopic Mass: 182.01499861g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 235
  • 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: 1.7
  • Topological Polar Surface Area: 104?2

Experimental Properties

  • PSA: 104.35000
  • LogP: 1.56978

2-Thiophenecarboxylic acid, 4-amino-5-cyano-, methyl ester Pricemore >>

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2-Thiophenecarboxylic acid, 4-amino-5-cyano-, methyl ester Production Method

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