56601-42-4

Basic information

• Product Name: CYCLOPROPYL ISOTHIOCYANATE
• Synonyms: ART-CHEM-BB B022766;CYCLOPROPYL ISOTHIOCYANATE;ISOTHIOCYANATO-CYCLOPROPANE;AKOS B022766;Cyclopropyl isothiocyanate,97%;cyclopropane, isothiocyanato-;Cyclopropyl isothiocyate
• CAS NO: 56601-42-4
• Molecular Formula: C₄H₅NS
• Molecular Weight: 99.15
• EINECS: 260-278-6
• Product Categories: Ring Systems;Building Blocks;Chemical Synthesis;Organic Building Blocks;Sulfur Compounds;Thiocyanates/Isothiocyanates
• Mol File: 56601-42-4.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 57-59 °C (15 mmHg)
• Flash Point: 57°C
• Appearance: Clear colorless to slightly yellow/Liquid
• Density: 1.07
• Vapor Pressure: 2.78mmHg at 25°C
• Refractive Index: 1.544-1.546
• Storage Temp.: Refrigerator (+4°C)
• Sensitive: Moisture Sensitive
• BRN: 3600974
• CAS DataBase Reference: CYCLOPROPYL ISOTHIOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: CYCLOPROPYL ISOTHIOCYANATE(56601-42-4)
• EPA Substance Registry System: CYCLOPROPYL ISOTHIOCYANATE(56601-42-4)

Safety Data

• Hazard Codes: T,C
• Statements: 34-23/25-10
• Safety Statements: 45-38-36/37/39-28A-26-16
• RIDADR: 3286
• WGK Germany: 3
• HazardClass: 3
• PackingGroup: II
• Hazardous Substances Data: 56601-42-4(Hazardous Substances Data)

Usage

Uses

Cyclopropyl isothiocyanate is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.

InChI:InChI=1/C4H5NS/c6-3-5-4-1-2-4/h4H,1-2H2

Upstream product

• 463-71-8 thiophosgene 
• 765-30-0 Cyclopropylamine 
• 75-15-0 carbon disulfide 

Downstream Products

• 733810-60-1 2-(cyclopropylamino)-5-methyl-3,4-thiophenedicarboxylic acid 3-ethyl 4-methyl ester 
• 56541-14-1 cyclopropylthiourea 
• 146381-56-8 3-cyclopropyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one 
• 452937-81-4 C₁₀H₁₁ClN₂S 
• 1404073-94-4 N-benzoyl-N-cycloproylcyanamide 
• 1092334-04-7 3-methyl-5-phenylfuro[3,2-g]chromen-7-one N-cyclopropylthiosemicarbazone 

Relevant articles and documents

Aminobenzimidazoles and Structural Isomers as Templates for Dual-Acting Butyrylcholinesterase Inhibitors and hCB2R Ligands To Combat Neurodegenerative Disorders

A pharmacophore model for butyrylcholinesterase (BChE) inhibitors was applied to a human cannabinoid subtype 2 receptor (hCB2R) agonist and verified it as a first-generation lead for respective dual-acting compounds. The design, synthesis, and pharmacological evaluation of various derivatives led to the identification of aminobenzimidazoles as second-generation leads with micro- or sub-micromolar activities at both targets and excellent selectivity over hCB1and AChE, respectively. Computational studies of the first- and second-generation lead structures by applying molecular dynamics (MD) on the active hCB2R model, along with docking and MD on hBChE, has enabled an explanation of their binding profiles at the protein levels and opened the way for further optimization. Dual-acting compounds with “balanced” affinities and excellent selectivities could be obtained that represent leads for treatment of both cognitive and pathophysiological impairment occurring in neurodegenerative disorders.

ISOTHIOCYNATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIONS CONTAINING SAME

The present invention provides glucosinolate and isothiocyanate compounds and related methods for synthesizing these compounds and analogs. In certain embodiments, these glucosinolate and isothiocyanate compounds are useful and chemopreventive and or chemotherapeutic agents.

ISOTHIOCYANATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIOS CONTAINING SAME

The present invention provides glucosinolate and isothiocyante compounds and related methods for synthesizing these compounds and analogs. In certain embodiments, these glucosinolate and isothiocyanate compounds are useful and chemopreventive and or chemotherapeutic agents.