Cas no 109334-45-4 (Benzenethiol, 2,2'-[1,2-ethanediylbis(methylimino)]bis-)

Benzenethiol, 2,2'-[1,2-ethanediylbis(methylimino)]bis- structure
109334-45-4 structure
Product Name:Benzenethiol, 2,2'-[1,2-ethanediylbis(methylimino)]bis-
CAS No:109334-45-4
MF:C16H20N2S2
MW:304.473401069641
CID:1187168
PubChem ID:11141259
Update Time:2025-04-20

Benzenethiol, 2,2'-[1,2-ethanediylbis(methylimino)]bis- Chemical and Physical Properties

Names and Identifiers

    • Benzenethiol, 2,2'-[1,2-ethanediylbis(methylimino)]bis-
    • 2-[methyl-[2-(N-methyl-2-sulfanylanilino)ethyl]amino]benzenethiol
    • 109334-45-4
    • n,n'-dimethyl-n,n'-bis(2-mercaptophenyl)ethylenediamine
    • DTXSID20456742
    • Inchi: 1S/C16H20N2S2/c1-17(13-7-3-5-9-15(13)19)11-12-18(2)14-8-4-6-10-16(14)20/h3-10,19-20H,11-12H2,1-2H3
    • InChI Key: VJWZMJMBRUMSAY-UHFFFAOYSA-N
    • SMILES: SC1C=CC=CC=1N(C)CCN(C)C1C=CC=CC=1S

Computed Properties

  • Exact Mass: 304.107
  • Monoisotopic Mass: 304.10679099g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 5
  • Complexity: 260
  • 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: 8.5?2

Experimental Properties

  • PSA: 6.48
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