Cas no 16494-34-1 (3-Iodo-2-methylthiophene)

3-Iodo-2-methylthiophene structure
3-Iodo-2-methylthiophene structure
Product Name:3-Iodo-2-methylthiophene
CAS No:16494-34-1
MF:C5H5IS
MW:224.062672376633
CID:2658483
PubChem ID:23261658
Update Time:2024-02-29

3-Iodo-2-methylthiophene Chemical and Physical Properties

Names and Identifiers

    • 3-Iodo-2-methylthiophene
    • Inchi: 1S/C5H5IS/c1-4-5(6)2-3-7-4/h2-3H,1H3
    • InChI Key: XSPLJKDMNBFTKL-UHFFFAOYSA-N
    • SMILES: IC1C=CSC=1C

Computed Properties

  • Exact Mass: 223.91567g/mol
  • Monoisotopic Mass: 223.91567g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 0
  • Complexity: 65.099
  • 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
  • Topological Polar Surface Area: 28.2
  • XLogP3: 2.7

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