Cas no 1389315-10-9 (Methyl 3,5-diiodo-2-thiophenecarboxylate)

Methyl 3,5-diiodo-2-thiophenecarboxylate structure
1389315-10-9 structure
Product Name:Methyl 3,5-diiodo-2-thiophenecarboxylate
CAS No:1389315-10-9
MF:C6H4I2O2S
MW:393.968705177307
CID:3160976
PubChem ID:66570504
Update Time:2025-04-21

Methyl 3,5-diiodo-2-thiophenecarboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3,5-diiodo-2-thiophenecarboxylate
    • DTXSID601215361
    • Methyl3,5-diiodo-2-thiophenecarboxylate
    • 1389315-10-9
    • 2-Thiophenecarboxylic acid, 3,5-diiodo-, methyl ester
    • MDL: MFCD22380019
    • Inchi: 1S/C6H4I2O2S/c1-10-6(9)5-3(7)2-4(8)11-5/h2H,1H3
    • InChI Key: YHKDNDZSUULRAD-UHFFFAOYSA-N
    • SMILES: IC1C=C(SC=1C(=O)OC)I

Computed Properties

  • Exact Mass: 393.80215Da
  • Monoisotopic Mass: 393.80215Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 165
  • 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: 3.1
  • Topological Polar Surface Area: 54.5?2
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