60034-28-8

Basic information

• Product Name: Crotonyl isothiocyanate
• Synonyms: (2E)-2-Butenoyl isothiocyanate;Crotonyl isothiocyate
• CAS NO: 60034-28-8
• Molecular Formula: C₅H₅NOS
• Molecular Weight: 127.1643
• Mol File: 60034-28-8.mol
• Article Data: 0

Chemical Properties

• Boiling Point: 78-80°C 17mm
• Flash Point: 61.4 °C
• Appearance: /
• Density: 1,1 g/cm3
• Vapor Pressure: 1.01mmHg at 25°C
• Refractive Index: 1.51
• CAS DataBase Reference: Crotonyl isothiocyanate(CAS DataBase Reference)
• NIST Chemistry Reference: Crotonyl isothiocyanate(60034-28-8)
• EPA Substance Registry System: Crotonyl isothiocyanate(60034-28-8)

Safety Data

• HazardClass: IRRITANT-HARMFUL
• Hazardous Substances Data: 60034-28-8(Hazardous Substances Data)

Usage

Description

Crotonyl isothiocyanate, also known as allyl isothiocyanate, is a potent organic compound derived from the reaction of crotonyl chloride and potassium thiocyanate. It is characterized by a pungent odor and is recognized for its wide-ranging applications in various fields, including agriculture and chemical research. Its ability to induce apoptosis in cancerous cells highlights its potential in cancer treatment, while ongoing studies explore its pharmacological properties and involvement in biochemical pathways. However, due to its irritant and toxic nature, it requires careful handling.

Uses

Used in Agricultural Applications:
Crotonyl isothiocyanate is used as a pesticide, fungicide, and herbicide for its potent biocidal properties, effectively controlling pests and unwanted plant growth in agricultural settings.
Used in Chemical Research:
As a reagent in chemical research, crotonyl isothiocyanate is utilized for its unique chemical properties, facilitating various organic synthesis processes and contributing to the advancement of scientific knowledge.
Used in Cancer Treatment:
Crotonyl isothiocyanate is used as a potential therapeutic agent for its ability to induce apoptosis in cancerous cells, offering a novel approach to cancer treatment and the development of new anticancer drugs.
Used in Pharmaceutical Development:
Crotonyl isothiocyanate is under investigation for its potential pharmacological properties, with research focusing on its role in various biochemical pathways, which may lead to the discovery of new drugs and therapies.

InChI:InChI=1/C5H5NOS/c1-2-3-5(7)6-4-8/h2-3H,1H3/b3-2+

Upstream product

• 625-35-4 trans-chrotonyl chloride 
• 333-20-0 potassium thioacyanate 

Downstream Products

• 115983-15-8 N-(2-butenoyl)-N'-(cyclohexyl)thiourea 
• 104721-19-9 N'-(2-Butenoyl)-N-phenylthiourea 
• 115983-13-6 N-(2-butenoyl)-N'-(2-trifluoromethylphenyl)thiourea 
• 104721-21-3 6-Methyl-2-phenylamino-5,6-dihydro-[1,3]thiazin-4-one 
• 115983-05-6 1,2,5,6-tetrahydro-6-methyl-2-thioxo-1-(2-trifluoromethylphenyl)-(3H)-pyrimidinone 
• 115983-06-7 1,2,5,6-tetrahydro-6-methyl-2-thioxo-1-(3-trifluoromethylphenyl)-4(3H)-pyrimidinone 
• 115983-22-7 2,3,5,6-tetrahydro-6-methyl-2-(3-trifluoromethylphenylimino)-4H-1,3-thiazin-4-one 
• 115983-21-6 2,3,5,6-tetrahydro-6-methyl-2-(2-trifluoromethylphenylimino)-4H-1,3-thiazin-4-one 
• 115983-20-5 2,3,5,6-tetrahydro-6-methyl-2-(4-methylphenylimino)-4H-1,3-thiazin-4-one 
• 115983-04-5 1,2,5,6-tetrahydro-6-methyl-1-(4-methylphenyl)-2-thioxo-4(3H)-pyrimidinone 
• 115983-07-8 N-(2-butenoyl)-N'-(3-phenyl-5-pyrazolyl)-thiourea 
• 115983-14-7 N-(2-butenoyl)-N'-(3-trifluoromethylphenyl)thiourea 
• 115983-16-9 N-benzyl-N'-(2-butenoyl)thiourea 
• 115983-12-5 N-(2-butenoyl)-N'-(4-methylphenyl)thiourea