621-85-2

Basic information

• Product Name: BENZYLISOTHIOUREA
• Synonyms: benzyl carbamimidothioate
• CAS NO: 621-85-2
• Molecular Formula: C₈H₁₀N₂S
• Molecular Weight: 166.24
• Mol File: 621-85-2.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 283.2°C at 760 mmHg
• Flash Point: 125.1°C
• Appearance: /
• Density: 1.18g/cm³
• Vapor Pressure: 0.0032mmHg at 25°C
• Refractive Index: 1.605
• CAS DataBase Reference: BENZYLISOTHIOUREA(CAS DataBase Reference)
• NIST Chemistry Reference: BENZYLISOTHIOUREA(621-85-2)
• EPA Substance Registry System: BENZYLISOTHIOUREA(621-85-2)

Safety Data

• Hazardous Substances Data: 621-85-2(Hazardous Substances Data)

Usage

InChI:InChI=1/C8H10N2S/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10)

Upstream product

• 100-39-0 benzyl bromide 
• 17356-08-0 thiourea 
• 67344-86-9 1,5-diphenyl-2-(S-benzyl)-2,4-isodithiobiuret 
• 100-44-7 benzyl chloride 

Downstream Products

• 54070-72-3 2-Benzyl-1-(1,3-dimethyl-ureidocarbonyl)-isothiourea 
• 53243-38-2 2-benzyl-1-(p-tolyl-thiocarbamoyl)-isothiourea 
• 53243-38-2 2-benzyl-1-(p-tolyl-thiocarbamoyl)-isothiourea 
• 82552-00-9 2-Benzyl-1-(2-methyl-5,6-dihydro-[1,4]oxathiine-3-carbonyl)-isothiourea 
• 80742-00-3 2-Benzylthio-4,6-diethylpyrimidin 
• 80742-04-7 2-Benzylthio-4,6-diisopropylpyrimidin 
• 128452-40-4 2-(4-Benzylsulfanyl-6-methyl-[1,3,5]triazin-2-yl)-phenol 
• 128452-41-5 2-(4-Benzylsulfanyl-6-phenyl-[1,3,5]triazin-2-yl)-phenol 
• 722-18-9 2-benzylsulfanyl-5-fluoro-3H-pyrimidin-4-one 
• 105439-81-4 5-Benzylsulfanyl-1-oxo-1,2-dihydro-1λ⁴-[1,2,4,6]thiatriazine-3-carboxylic acid benzylamide 
• 83657-04-9 1-m-tolyl-5-phenyl-2,4-dithiobiuret 
• 150-60-7 dibenzyl disulphide 
• 277749-55-0 4-benzylsulfanyl-2-methylsulfanyl-6-oxo-1,6-dihydropyrimidine-5-carbonitrile 
• 301846-13-9 Ethyl 5-Amino-2-benzylthio-4-(3-methoxyphenyl)-thieno[2,3-d]pyrimidine-6-carboxylate 

Relevant articles and documents

Correlation analysis in the benzylation of sulfur nucleophiles

In the nucleophilic substitution reaction of benzyl bromides with three sulfur nucleophiles a linear relationship between the nucleophile discrimination parameter (s) and the Hammett substituent constant (σ) is observed.

Synthesis and Biological Activity of trans-(+/-)-N-Methyl-2-(3-pirydyl)-2-tetrahydrothiopyrancarbothioamide 1-Oxide (RP 49356) and Analogues: A New Class of Potassium Channel Opener

The synthesis and biological activity of trans-(+/-)-N-methyl-2-(3-pyridyl)-2-tetrahydrothiopyrancarbothioamide 1-oxide (8a, RP 49356) and analoques is reported.These compounds constitute a new structural class of K+-channel opener.The effects of changes in the pyridyl group, thioamide, and thiane ring on in vitro K+-channel opening activity are discussed.A 3-pyridyl or 3-quinolyl group, a small N-alkyl thioamide function, and a thiane oxide ring, in which the sulfoxide is in a trans relationship to thioamide, are preferred for activity.Selected compounds were tested intravenously in the normotensive anaesthetized rat for hypotensive effects, and the activities reflect their in vitro K+-channel opening activity.This led to further evaluation of compound 8a and the selection of the (-)-enantiomer 8b (RP 52891) for development as an antihypertensive and antianginal agent.