Cas no 25752-95-8 (Benzene, 1,4-bis[(1,1-dimethylethyl)thio]-)

Benzene, 1,4-bis[(1,1-dimethylethyl)thio]- structure
25752-95-8 structure
Product Name:Benzene, 1,4-bis[(1,1-dimethylethyl)thio]-
CAS No:25752-95-8
MF:C14H22S2
MW:254.454481601715
CID:1424106
PubChem ID:784937
Update Time:2025-04-20

Benzene, 1,4-bis[(1,1-dimethylethyl)thio]- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1,4-bis[(1,1-dimethylethyl)thio]-
    • 1,4-bis(tert-butylsulfanyl)benzene
    • STL333928
    • AKOS000663914
    • DTXSID00354853
    • 25752-95-8
    • Inchi: 1S/C14H22S2/c1-13(2,3)15-11-7-9-12(10-8-11)16-14(4,5)6/h7-10H,1-6H3
    • InChI Key: ZLBRWPOMYZBQSI-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(=CC=1)SC(C)(C)C)C(C)(C)C

Computed Properties

  • Exact Mass: 254.11646
  • Monoisotopic Mass: 254.11629305g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 178
  • 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: 4.9
  • Topological Polar Surface Area: 50.6?2

Experimental Properties

  • PSA: 0
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