Cas no 67341-49-5 (2,3,5,6-Tetrachloro-4-(methylthio)benzenethiol)

2,3,5,6-Tetrachloro-4-(methylthio)benzenethiol structure
67341-49-5 structure
Product Name:2,3,5,6-Tetrachloro-4-(methylthio)benzenethiol
CAS No:67341-49-5
MF:C7H4Cl4S2
MW:294.048655509949
CID:965842
PubChem ID:171829
Update Time:2025-04-19

2,3,5,6-Tetrachloro-4-(methylthio)benzenethiol Chemical and Physical Properties

Names and Identifiers

    • 2,3,5,6-Tetrachloro-4-(methylthio)benzenethiol
    • 2,3,5,6-tetrachloro-4-methylsulfanylbenzenethiol
    • 67341-49-5
    • DTXSID40217690
    • Benzenethiol, 2,3,5,6-tetrachloro-4-(methylthio)-
    • 4-Methylthio-tetrachlorothiophenol
    • Mttctp
    • BRN 3291123
    • Benzenethiol, 4-(methylthio)-2,3,5,6-tetrachloro-
    • Inchi: 1S/C7H4Cl4S2/c1-13-7-4(10)2(8)6(12)3(9)5(7)11/h12H,1H3
    • InChI Key: CLNQOCYAAXXJSR-UHFFFAOYSA-N
    • SMILES: ClC1C(=C(C(=C(C=1SC)Cl)Cl)S)Cl

Computed Properties

  • Exact Mass: 291.85112
  • Monoisotopic Mass: 291.851
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 164
  • 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: 5.1
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Density: 1.64
  • Boiling Point: 347°C at 760 mmHg
  • Flash Point: 163.7°C
  • Refractive Index: 1.666
  • PSA: 0

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