Cas no 910635-40-4 (5,5-dimethyl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylic acid)

5,5-dimethyl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylic acid structure
910635-40-4 structure
Product Name:5,5-dimethyl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylic acid
CAS No:910635-40-4
MF:C11H14O2S
MW:210.292662143707
CID:1958729
PubChem ID:57508882
Update Time:2025-04-21

5,5-dimethyl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • Benzo[c]thiophene-1-carboxylic acid, 4,5,6,7-tetrahydro-5,5-dimethyl-
    • 5,5-dimethyl-4,5,6,7-tetrahydro-benzo[c]thiophene-1-carboxylic acid
    • 5,5-dimethyl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylic acid
    • P13040
    • SCHEMBL1854014
    • DB-340601
    • 5,5-Dimethyl-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylic acid
    • 5,5-Dimethyl-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylicacid
    • GBWOOJHXGVEEMJ-UHFFFAOYSA-N
    • 910635-40-4
    • CS-0058082
    • Inchi: 1S/C11H14O2S/c1-11(2)4-3-8-7(5-11)6-14-9(8)10(12)13/h6H,3-5H2,1-2H3,(H,12,13)
    • InChI Key: GBWOOJHXGVEEMJ-UHFFFAOYSA-N
    • SMILES: S1C=C2C(=C1C(=O)O)CCC(C)(C)C2

Computed Properties

  • Exact Mass: 210.07145086g/mol
  • Monoisotopic Mass: 210.07145086g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 250
  • 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: 3.5
  • Topological Polar Surface Area: 65.5?2

5,5-dimethyl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylic acid Pricemore >>

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