Cas no 1466849-56-8 (1-(methylsulfanyl)-3,3-dipropylcyclobutane-1-carboxylic acid)

1-(Methylsulfanyl)-3,3-dipropylcyclobutane-1-carboxylic acid is a cyclobutane derivative featuring a methylsulfanyl group and a carboxylic acid functional group. Its unique structure, incorporating a substituted cyclobutane ring, offers potential utility in synthetic chemistry, particularly as an intermediate in the development of pharmaceuticals or agrochemicals. The presence of the methylsulfanyl moiety may enhance reactivity in nucleophilic or radical reactions, while the carboxylic acid group provides a handle for further derivatization. The dipropyl substituents contribute to lipophilicity, which could influence solubility and binding properties in biological systems. This compound may be of interest for researchers exploring novel scaffolds in medicinal chemistry or materials science applications.
1-(methylsulfanyl)-3,3-dipropylcyclobutane-1-carboxylic acid structure
1466849-56-8 structure
Product Name:1-(methylsulfanyl)-3,3-dipropylcyclobutane-1-carboxylic acid
CAS No:1466849-56-8
MF:C12H22O2S
MW:230.366882801056
CID:6247889
PubChem ID:65131296
Update Time:2025-06-07

1-(methylsulfanyl)-3,3-dipropylcyclobutane-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-(methylsulfanyl)-3,3-dipropylcyclobutane-1-carboxylic acid
    • EN300-1122484
    • 1466849-56-8
    • AKOS014464538
    • Inchi: 1S/C12H22O2S/c1-4-6-11(7-5-2)8-12(9-11,15-3)10(13)14/h4-9H2,1-3H3,(H,13,14)
    • InChI Key: PLYODPJOFURWHO-UHFFFAOYSA-N
    • SMILES: S(C)C1(C(=O)O)CC(CCC)(CCC)C1

Computed Properties

  • Exact Mass: 230.13405111g/mol
  • Monoisotopic Mass: 230.13405111g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 6
  • Complexity: 224
  • 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: 4.2
  • Topological Polar Surface Area: 62.6?2

1-(methylsulfanyl)-3,3-dipropylcyclobutane-1-carboxylic acid Pricemore >>

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