Cas no 478076-37-8 (Ethyl 4-amino-1-benzothiophene-2-carboxylate)

Ethyl 4-amino-1-benzothiophene-2-carboxylate structure
478076-37-8 structure
Product Name:Ethyl 4-amino-1-benzothiophene-2-carboxylate
CAS No:478076-37-8
MF:C11H11NO2S
MW:221.275541543961
CID:2647536
PubChem ID:11218307
Update Time:2025-04-21

Ethyl 4-amino-1-benzothiophene-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • SCHEMBL6754949
    • 478076-37-8
    • ethyl 4-amino-1-benzothiophene-2-carboxylate
    • EN300-6510165
    • Ethyl 4-amino-1-benzothiophene-2-carboxylate
    • Inchi: 1S/C11H11NO2S/c1-2-14-11(13)10-6-7-8(12)4-3-5-9(7)15-10/h3-6H,2,12H2,1H3
    • InChI Key: VZMPPMKHNAIXLI-UHFFFAOYSA-N
    • SMILES: S1C(C(=O)OCC)=CC2C(=CC=CC1=2)N

Computed Properties

  • Exact Mass: 221.05104977Da
  • Monoisotopic Mass: 221.05104977Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 247
  • 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: 2.8
  • Topological Polar Surface Area: 80.6?2

Ethyl 4-amino-1-benzothiophene-2-carboxylate Pricemore >>

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