147821-49-6

Basic information

• Product Name: [[2-ethyl-4-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy- phenyl]methylamino]methanethioic acid
• Synonyms: [[2-ethyl-4-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy- phenyl]methylamino]methanethioic acid
• CAS NO: 147821-49-6
• Molecular Formula: C₁₆H₂₃NO₆S
• Molecular Weight: 357.42
• Mol File: 147821-49-6.mol
• Article Data: 2

Chemical Properties

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Appearance: /
• Density: 1.356g/cm³
• Vapor Pressure: 2.62E-12mmHg at 25°C
• Refractive Index: 1.613
• PKA: 12.93±0.70(Predicted)
• CAS DataBase Reference: [[2-ethyl-4-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy- phenyl]methylamino]methanethioic acid(CAS DataBase Reference)
• NIST Chemistry Reference: [[2-ethyl-4-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy- phenyl]methylamino]methanethioic acid(147821-49-6)
• EPA Substance Registry System: [[2-ethyl-4-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy- phenyl]methylamino]methanethioic acid(147821-49-6)

Safety Data

• Hazardous Substances Data: 147821-49-6(Hazardous Substances Data)

Usage

General Description

The chemical "[[2-ethyl-4-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy- phenyl]methylamino]methanethioic acid" is a complex organic compound with a molecular structure that contains multiple functional groups including an aromatic ring, an amino group, and a thioic acid group. The compound also incorporates an oxane ring and an ethyl group. It has a chiral center and several hydroxyl groups, indicating its potential for forming hydrogen bonds and interacting with biological systems. The compound's exact properties and potential uses would require further investigation and characterization through experimental studies.

InChI:InChI=1/C16H23NO6S/c1-3-21-16(24)17-8-10-4-6-11(7-5-10)23-15-14(20)13(19)12(18)9(2)22-15/h4-7,9,12-15,18-20H,3,8H2,1-2H3,(H,17,24)

Upstream product

• 141-52-6 sodium ethanolate 
• 73255-40-0 4-(α-L-rhamnopyranosyloxy)benzyl isothiocyanate 
• 767-00-0 4-cyanophenol 
• 33148-47-9 4-allyloxy-benzonitrile 
• 147821-50-9 N-ethoxythiocarbonyl-4-(2',3',4'-tri-O-acetyl-α-L-rhamnopyranosyloxy)-benzylamine 
• 219501-53-8 N-benzyloxycarbonyl-4-(2',3',4'-tri-O-acetyl-α-L-rhamnopyranosyloxy)-benzylamine 
• 219501-46-9 N-ethoxythiocarbonyl-4-allyloxy-benzylamine 
• 75383-60-7 (4-hydroxy-benzyl)carbamic acid benzyl ester 
• 113893-72-4 2,3,4-tri-O-acetyl-L-rhamnopyranosyl trichloroacetimidate 
• 219501-50-5 N-benzyloxycarbonyl-4-allyloxy-benzylamine 
• 83171-41-9 (4-(allyloxy)phenyl)methanamine 
• 198898-38-3 N-ethoxythiocarbonyl-4-hydroxy-benzylamine 

Downstream Products

• 147821-50-9 N-ethoxythiocarbonyl-4-(2',3',4'-tri-O-acetyl-α-L-rhamnopyranosyloxy)-benzylamine 
• 147821-50-9 O-ethyl-4-<(2',3',4'-tri-O-acetyl-α-L-rhamnopyranosyloxy)benzyl>thiocarbamate (Z) 

Relevant articles and documents

Synthesis of novel hypotensive aromatic thiocarbamate glycosides

Syntheses of hypotensive thiocarbamate glycosides from Moringa oleifera are described. The route involves, first, the condensation of the sugar moiety with p-hydroxybenzonitrile to give glycoside 2, then subsequent reduction of 2 to the glycosidic benzyla