155418-08-9

Basic information

• Product Name: Ethanone,1-[(1R,2S,4S,6S)-6-isothiocyanatobicyclo[2.2.1]hept-2-yl]-, rel-
• Synonyms: Ethanone,1-(6-isothiocyanatobicyclo[2.2.1]hept-2-yl)-, (2-endo,6-exo)-
• CAS NO: 155418-08-9
• Molecular Formula: C10H13 N O S
• Molecular Weight: 195.28
• Mol File: 155418-08-9.mol

Chemical Properties

• Boiling Point: 323.5±21.0 °C(Predicted)
• Appearance: /
• Density: 1.33±0.1 g/cm3(Predicted)
• CAS DataBase Reference: Ethanone,1-[(1R,2S,4S,6S)-6-isothiocyanatobicyclo[2.2.1]hept-2-yl]-, rel-(CAS DataBase Reference)
• NIST Chemistry Reference: Ethanone,1-[(1R,2S,4S,6S)-6-isothiocyanatobicyclo[2.2.1]hept-2-yl]-, rel-(155418-08-9)
• EPA Substance Registry System: Ethanone,1-[(1R,2S,4S,6S)-6-isothiocyanatobicyclo[2.2.1]hept-2-yl]-, rel-(155418-08-9)

Safety Data

• Hazardous Substances Data: 155418-08-9(Hazardous Substances Data)

Upstream product

• 5063-03-6 2-acetyl-5-norbornene 
• 333-20-0 potassium thioacyanate 

Relevant articles and documents

Chemoprotective isothiocyanates

Sulforaphane has been isolated and identified as a major and very potent phase II enzyme inducer in broccoli (Brassica oleracea italica). Sulforaphane is a monofunctional inducer, inducing phase II enzymes selectively without the induction of aryl hydrocarbon receptor-dependent cytochromes P-450 (phase I enzymes). Analogues differing in the oxidation state of sulfur and the number of methylene groups were synthesized, and their inducer potencies were measured. Sulforaphane is the most potent of these analogues. Other analogues having different substituent groups in place of the methylsulfinyl group of sulforaphane were also synthesized and assessed. Of these, the most potent are 6-isothiocyanato-2-hexanone and exo-2-acetyl-6-isothiocyanatonorbornane.

Design and synthesis of bifunctional isothiocyanate analogs of sulforaphane: Correlation between structure and potency as inducers of anticarcinogenic detoxication enzymes

Thirty-five bifunctional isothiocyanates were synthesized as structural analogs of sulforaphane [(-)-1-isothiocyanato-4(R)-(methylsulfinyl)butane] that was recently isolated from broccoli as the principal and very potent inducer of detoxication (phase 2)