Cas no 592-95-0 (Sulforaphene)

Sulforaphene structure
Sulforaphene structure
Product Name:Sulforaphene
CAS No:592-95-0
MF:C6H9NOS2
MW:175.271758794785
CID:38615
PubChem ID:6433206
Update Time:2025-07-28

Sulforaphene Chemical and Physical Properties

Names and Identifiers

    • Sulforaphene
    • (E)-4-Isothiocyanato-1-(methylsulfinyl)-1-butene
    • SULFORAPHENE, (-)-(RG) PrintBack
    • 4-isothiocyanato-1-(methylsulfinyl)-1-buten
    • 4-methylsulfinyl-3-butenyl isothiocyanate
    • 4-Methylsulfinyl-3-butenyl-isothiocyanat (Sulphoraphen)
    • L-SULFORAPHENE
    • L-SULPHORAPHENE
    • RAPHANIN
    • sativin
    • S-SULFORAPHENE
    • SULFORAPHANE,DL-(SH)
    • SULFORAPHENE,L
    • (-)4-Isothiocyanato-4R-methylsulfinyl)-1-butene
    • 4-isothiocyanato-1-methylsulfinylbut-1-ene
    • 4-isothiocyanato-1-methylsulfinyl-but-1-ene
    • Sulforaphen
    • Sulphoraphen
    • sulphoraphene
    • 4-Isothiocyanato-1-(methylsulfinyl)-1-butene
    • (R)-(E)-Sulforaphene
    • (E)-4-isothiocyanato-1-methylsulfinylbut-1-ene
    • 1-Methylsulfinylbutenyl isothiocyante
    • 4-methylsulfinylbut-3-enylisothiocyanate
    • ISOTHIOCYANIC ACID, 4-(METHYLSULFINYL)-3-BUTENYL ESTER
    • NCO9MC39IO
    • F21504
    • (E)-4-Isothiocyanato-1-methylsulfinyl-
    • AKOS006274434
    • HY-N2450
    • AKOS040760048
    • (-)4-Isothiocyanato-4R-(methylsulfinyl)-1-butene
    • 1-Butene, 4-isothiocyanato-1-(methylsulfinyl)-
    • MS-22937
    • CS-0022676
    • UNII-NCO9MC39IO
    • 592-95-0
    • (1E)-4-isothiocyanato-1-methanesulfinylbut-1-ene
    • 2404-46-8
    • AC-34422
    • Q7294040
    • SCHEMBL2937706
    • CHEMBL49659
    • SCHEMBL994470
    • DTXSID401028336
    • FT-0776797
    • QKGJFQMGPDVOQE-HWKANZROSA-N
    • DA-48617
    • Raphanin; Sulforaphen; (-)-Sulforaphene; 4-Isothiocyanato-1-(methylsulfinyl)-1-butene
    • (1E)-4-isothiocyanato-1-(methylsulfinyl)-1-butene
    • Inchi: 1S/C6H9NOS2/c1-10(8)5-3-2-4-7-6-9/h3,5H,2,4H2,1H3/b5-3+
    • InChI Key: QKGJFQMGPDVOQE-HWKANZROSA-N
    • SMILES: S(C)(/C=C/CCN=C=S)=O

Computed Properties

  • Exact Mass: 175.01300
  • Monoisotopic Mass: 175.01255626 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 4
  • Complexity: 182
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Molecular Weight: 175.3
  • XLogP3: 1.5
  • Topological Polar Surface Area: 80.7

Experimental Properties

  • Color/Form: Powder
  • Density: 1.2±0.1 g/cm3
  • Melting Point: N/A
  • Boiling Point: bp0.015 125-130°
  • Flash Point: 172.8 °C
  • Refractive Index: 1.566
  • Solubility: Chloroform (Slightly), DMSO (Slightly), Ethylacetate (Slightly), Methanol (Sligh
  • PSA: 80.73000
  • LogP: 2.23720
  • Specific Rotation: D19 -107° (c = 1.37 in chloroform); D14 -136° (c = 1.38 in alcohol)
  • FEMA: 2042

Sulforaphene Security Information

Sulforaphene Pricemore >>

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Sulforaphene Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:592-95-0)Sulforaphene
Order Number:A1204254
Stock Status:in Stock
Quantity:25mg/50mg/100mg
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 02:52
Price ($):226.0/385.0/652.0
Recommended suppliers
Amadis Chemical Company Limited
(CAS:592-95-0)Sulforaphene
A1204254
Purity:99%/99%/99%
Quantity:25mg/50mg/100mg
Price ($):226.0/385.0/652.0
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