Cas no 177586-41-3 (2-Iododibenzothiophene)

2-Iododibenzothiophene structure
2-Iododibenzothiophene structure
Product Name:2-Iododibenzothiophene
CAS No:177586-41-3
MF:C12H7IS
MW:310.153454065323
MDL:MFCD28975116
CID:3164270
PubChem ID:253661236
Update Time:2025-09-24

2-Iododibenzothiophene Chemical and Physical Properties

Names and Identifiers

    • 2-Iododibenzothiophene
    • 2-Iododibenzo[b,d]thiophene
    • I0973
    • 4-IODO-8-THIATRICYCLO[7.4.0.0(2),?]TRIDECA-1(9),2(7),3,5,10,12-HEXAENE
    • SCHEMBL7912381
    • 177586-41-3
    • DB-409740
    • MFCD28975116
    • T71943
    • CHA58641
    • AS-85979
    • GEO-04818
    • MDL： MFCD28975116
    • Inchi： 1S/C12H7IS/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H
    • InChI Key： LCTVJYHYWSCJAF-UHFFFAOYSA-N
    • SMILES： IC1C=CC2=C(C=1)C1C=CC=CC=1S2

Computed Properties

  • Exact Mass: 309.93132g/mol
  • Monoisotopic Mass: 309.93132g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 0
  • Complexity: 218
  • 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: 5
  • Topological Polar Surface Area: 28.2

Experimental Properties

  • Density: 1.832±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 88°C(lit.)
  • Solubility: Insuluble (2.0E-4 g/L) (25 oC),

2-Iododibenzothiophene Pricemore >>

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