Cas no 1082602-24-1 (6-(Tert-butyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid)

6-(Tert-butyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid structure
1082602-24-1 structure
Product Name:6-(Tert-butyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid
CAS No:1082602-24-1
MF:C13H18O2S
MW:238.345822811127
MDL:MFCD03419865
CID:5041663
PubChem ID:52983689
Update Time:2025-07-31

6-(Tert-butyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 6-(tert-butyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid
    • 6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
    • 6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylicacid
    • 6-(Tert-butyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid
    • MDL: MFCD03419865
    • Inchi: 1S/C13H18O2S/c1-13(2,3)8-4-5-9-10(12(14)15)7-16-11(9)6-8/h7-8H,4-6H2,1-3H3,(H,14,15)
    • InChI Key: GLZLGKPLGFUROM-UHFFFAOYSA-N
    • SMILES: S1C=C(C(=O)O)C2=C1CC(CC2)C(C)(C)C

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 282
  • XLogP3: 4
  • Topological Polar Surface Area: 65.5

6-(Tert-butyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid Pricemore >>

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Enamine
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