1253-98-1

Basic information

• Product Name: (3beta)-cholest-5-en-3-yl thiocyanate
• CAS NO: 1253-98-1
• Molecular Formula: C₂₈H₄₅NS
• Molecular Weight: 427.7286
• Mol File: 1253-98-1.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 523.8°C at 760 mmHg
• Flash Point: 270.6°C
• Density: 1.02g/cm³
• Vapor Pressure: 4.58E-11mmHg at 25°C
• Refractive Index: 1.54
• CAS DataBase Reference: (3beta)-cholest-5-en-3-yl thiocyanate(CAS DataBase Reference)
• NIST Chemistry Reference: (3beta)-cholest-5-en-3-yl thiocyanate(1253-98-1)
• EPA Substance Registry System: (3beta)-cholest-5-en-3-yl thiocyanate(1253-98-1)

Safety Data

• Hazardous Substances Data: 1253-98-1(Hazardous Substances Data)

Usage

General Description

(3beta)-cholest-5-en-3-yl thiocyanate is a chemical compound with a molecular formula C29H45NOS. It is a derivative of cholesterol and contains a thiocyanate group. Cholesterol is a type of lipid that is an essential component of cell membranes and is a precursor to various hormones and other substances in the body. Thiocyanate is a negatively charged ion that contains sulfur and has various industrial and biological applications. The combination of cholesterol and thiocyanate in this compound may have potential pharmaceutical or biological uses, but further research is needed to fully understand its properties and potential applications.

Upstream product

• 64-17-5 ethanol 
• 516-91-6 (3S,8S,9S,10R,13R,14S,17R)-3-Bromo-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene 
• 1249-81-6 thiocholesterol 
• 172876-96-9 3-oxo-1λ³-benzo[d][1,2]iodaoxole-1(3H)-carbonitrile 
• 136911-91-6 cholest-5-en-3-β-yl 2-pyridyl disulfide 
• 910-31-6 3-chloro-cholest-5-ene 
• 333-20-0 potassium thioacyanate 
• 143-33-9 sodium cyanide 
• 136911-96-1 Trifluoro-methanesulfonate2-[(3S,8S,9S,10R,13R,14S,17R)-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yldisulfanyl]-1-methyl-pyridinium; 
• 1182-65-6 cholesteryl p-toluenesulfonate 
• 67-64-1 acetone 

Downstream Products

• 94148-04-6 3β-trans-cinnamoylmercapto-cholestene-(5) 
• 1249-81-6 thiocholesterol 
• 7510-04-5 3β-anilino-cholestene-(5) 
• 102-08-9 N,N-diphenylthiourea 

Relevant articles and documents

General and practical formation of thiocyanates from thiols

A new method for the cyanation of thiols and disulfides using cyanobenziodoxol(on)e hypervalent iodine reagents is described. Both aliphatic and aromatic thiocyanates can be accessed in good yields in a few minutes at room temperature starting from a broad range of thiols with high chemioselectivity. The complete conversion of disulfides to thiocyanates was also possible. Preliminary computational studies indicated a low energy concerted transition state for the cyanation of the thiolate anion or radical. The developed thiocyanate synthesis has broad potential for various applications in synthetic chemistry, chemical biology and materials science.

The dipolar aprotic-protic solution effects in the nucleophilic substitution of the cholesteryl tosylates

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