Cas no 80028-57-5 (4H-1,3-Dithiin,2-ethenyl-)

4H-1,3-Dithiin,2-ethenyl- structure
4H-1,3-Dithiin,2-ethenyl- structure
Product Name:4H-1,3-Dithiin,2-ethenyl-
CAS No:80028-57-5
MF:C6H8S2
MW:144.257719039917
CID:726644
PubChem ID:133337
Update Time:2025-04-19

4H-1,3-Dithiin,2-ethenyl- Chemical and Physical Properties

Names and Identifiers

    • 4H-1,3-Dithiin,2-ethenyl-
    • 2-ethenyl-4H-1,3-dithiine
    • 2-vinyl-4H-1,3-dithiin
    • 2-vinyl-4H-1,3-dithin
    • 4H-1,3-Dithiin, 2-ethenyl
    • 2-vinyl-[4H]-1,3-dithin
    • 3-Bromobenzoic acid, 3-pentadecyl ester
    • SCHEMBL1300233
    • 2-Vinyl-4H-1,3-dithiine
    • 2-Ethenyl-4H-1,3-dithiine, 9CI
    • DTXSID801000918
    • 2-Vinyl-(4H)-1,3-dithiine
    • 2-ethenyl-2,4-dihydro-1,3-dithiine
    • H-1,3-Dithiin, 2-ethenyl-
    • DV 2
    • 2-Ethenyl-4H-1,3-dithiin
    • 2-Vdtii
    • 80028-57-5
    • 2-Vinyl-1,3-dithi-4-ene
    • 2-Vinyl-[4H]-1,3-dithiin
    • 1-Ethyltridecyl 3-bromobenzoate
    • 2-Vinyl-4(H)-1,3-dithiin
    • 4H-1,3-Dithiin, 2-ethenyl-
    • Inchi: 1S/C6H8S2/c1-2-6-7-4-3-5-8-6/h2-4,6H,1,5H2
    • InChI Key: XUKBDTUPIIADOP-UHFFFAOYSA-N
    • SMILES: S1CC=CSC1C=C

Computed Properties

  • Exact Mass: 144.00684
  • Monoisotopic Mass: 144.00674260g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1
  • Complexity: 107
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.3
  • Topological Polar Surface Area: 50.6?2

Experimental Properties

  • PSA: 0

4H-1,3-Dithiin,2-ethenyl- Production Method

Production Method 1

Reaction Conditions
1.1
Reference
Lipoxygenase inhibitors from the essential oil of garlic. Markovnikov addition of the allyldithio radical to olefins
By Block, Eric et al, Journal of the American Chemical Society, 1988, 110(23), 7813-27

4H-1,3-Dithiin,2-ethenyl- Raw materials

4H-1,3-Dithiin,2-ethenyl- Preparation Products

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