Cas no 31310-19-7 (ethyl 5-amino-3-methyl-1-benzothiophene-2-carboxylate)

ethyl 5-amino-3-methyl-1-benzothiophene-2-carboxylate structure
31310-19-7 structure
Product Name:ethyl 5-amino-3-methyl-1-benzothiophene-2-carboxylate
CAS No:31310-19-7
MF:C12H13NO2S
MW:235.30212187767
CID:1069455
PubChem ID:2758795
Update Time:2025-04-20

ethyl 5-amino-3-methyl-1-benzothiophene-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 5-amino-3-methylbenzo-[b]thiophene-2-carboxylate
    • ethyl 5-amino-3-methyl-1-benzothiophene-2-carboxylate
    • HWUQWROLRSTSGZ-UHFFFAOYSA-N
    • SCHEMBL3488612
    • CS-0234603
    • Ethyl 5-Amino-3-methylbenzo[b]thiophene-2-carboxylate
    • ethyl-5-amino-3-methyl-1-benzothiophene-2-carboxylate
    • DB-206559
    • Ethyl5-Amino-3-methylbenzo[b]thiophene-2-carboxylate
    • Z1741962682
    • 31310-19-7
    • 5-Amino-3-methylbenzo[b]thiophene-2-carboxylic acid ethyl ester
    • EN300-1441543
    • A912277
    • MDL： MFCD00661911
    • Inchi： 1S/C12H13NO2S/c1-3-15-12(14)11-7(2)9-6-8(13)4-5-10(9)16-11/h4-6H,3,13H2,1-2H3
    • InChI Key： HWUQWROLRSTSGZ-UHFFFAOYSA-N
    • SMILES： S1C(C(=O)OCC)=C(C)C2C=C(C=CC1=2)N

Computed Properties

  • Exact Mass: 235.06669983g/mol
  • Monoisotopic Mass: 235.06669983g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 272
  • 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: 3.2
  • Topological Polar Surface Area: 80.6?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 396.0±37.0 °C at 760 mmHg
  • Flash Point: 193.3±26.5 °C
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

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