Cas no 141764-76-3 (3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-(phenylthio)-, ethyl ester)

3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-(phenylthio)-, ethyl ester structure
141764-76-3 structure
Product Name:3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-(phenylthio)-, ethyl ester
CAS No:141764-76-3
MF:C14H16O3S
MW:264.340043067932
CID:2774476
PubChem ID:11832287
Update Time:2025-04-21

3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-(phenylthio)-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 141764-76-3
    • DTXSID70474178
    • 3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-(phenylthio)-, ethyl ester
    • DTXCID30424992
    • Inchi: 1S/C14H16O3S/c1-3-16-14(15)12-9-13(17-10(12)2)18-11-7-5-4-6-8-11/h4-8,13H,3,9H2,1-2H3
    • InChI Key: NAGRKMFROPZTOC-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=CC=1)C1CC(C(=O)OCC)=C(C)O1

Computed Properties

  • Exact Mass: 264.08201554Da
  • Monoisotopic Mass: 264.08201554Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 332
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.5
  • Topological Polar Surface Area: 60.8?2
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