Cas no 5925-55-3 (tert-butyl dithiobenzoate)

Tert-butyl dithiobenzoate is a sulfur-containing organic compound primarily used as a reversible addition-fragmentation chain transfer (RAFT) agent in controlled radical polymerization. Its thiocarbonylthio group enables precise control over molecular weight and polydispersity in polymer synthesis, making it valuable for producing well-defined macromolecular architectures. The tert-butyl moiety enhances stability and solubility in organic solvents, facilitating handling in various reaction conditions. This compound is particularly effective in polymerizing styrenic and acrylic monomers, offering high chain-end fidelity and compatibility with diverse polymerization techniques. Its role in achieving narrow molecular weight distributions and tailored polymer properties underscores its utility in advanced materials research and industrial applications.
tert-butyl dithiobenzoate structure
tert-butyl dithiobenzoate structure
Product Name:tert-butyl dithiobenzoate
CAS No:5925-55-3
MF:C11H14S2
MW:210.358860492706
CID:339372
PubChem ID:9920756
Update Time:2025-05-20

tert-butyl dithiobenzoate Chemical and Physical Properties

Names and Identifiers

    • Benzenecarbodithioic acid, 1,1-dimethylethyl ester
    • 2-Methyl-2-propylbenzodithiolate
    • tert-butyl benzenecarbodithioate
    • Tert-butyl Dithiobenzoate
    • t-butyl dithiobenzoate
    • NNADJWNJTLVMSL-UHFFFAOYSA-N
    • DTXSID80432825
    • CS-0111116
    • 5925-55-3
    • SCHEMBL236901
    • tert-butyl benzodithioate
    • tert-butyl dithiobenzoate
    • Inchi: 1S/C11H14S2/c1-11(2,3)13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3
    • InChI Key: NNADJWNJTLVMSL-UHFFFAOYSA-N
    • SMILES: S(C(C1C=CC=CC=1)=S)C(C)(C)C

Computed Properties

  • Exact Mass: 210.05382
  • Monoisotopic Mass: 210.05369279g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 173
  • 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: 57.4
  • XLogP3: 3.9

Experimental Properties

  • Density: 1.093±0.06 g/cm3(Predicted)
  • Boiling Point: 105 °C(Press: 0.5 Torr)
  • PSA: 0
  • Sensitiveness: light sensitive, store cold

tert-butyl dithiobenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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