68695-62-5

Basic information

• Product Name: N-(Phenylmethyl)carbamimidothioic acid methyl ester
• Synonyms: N-(Phenylmethyl)carbamimidothioic acid methyl ester
• CAS NO: 68695-62-5
• Molecular Formula: C₉H₁₂N₂S
• Molecular Weight: 180.27
• Mol File: 68695-62-5.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 280.2 °C at 760 mmHg
• Flash Point: 123.3 °C
• Appearance: /
• Density: 1.09 g/cm³
• Vapor Pressure: 0.00383mmHg at 25°C
• Refractive Index: 1.573
• CAS DataBase Reference: N-(Phenylmethyl)carbamimidothioic acid methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: N-(Phenylmethyl)carbamimidothioic acid methyl ester(68695-62-5)
• EPA Substance Registry System: N-(Phenylmethyl)carbamimidothioic acid methyl ester(68695-62-5)

Safety Data

• Hazardous Substances Data: 68695-62-5(Hazardous Substances Data)

Usage

General Description

N-(Phenylmethyl)carbamimidothioic acid methyl ester is a chemical compound with the molecular formula C9H12N2OS. It is an ester derivative of carbamimidothioic acid, and the phenylmethyl group attached to the nitrogen atom gives it its unique structure. N-(Phenylmethyl)carbamimidothioic acid methyl ester has potential applications in various fields, including pharmaceuticals and agrochemicals. It is a white solid with a melting point of around 64-66°C and has a molecular weight of 196.27 g/mol. N-(Phenylmethyl)carbamimidothioic acid methyl ester may have potential uses as a reagent in chemical synthesis or as a building block for the preparation of other compounds. However, it is important to handle this chemical with care and to follow safety guidelines when working with it.

InChI:InChI=1/C9H12N2S/c1-12-9(10)11-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,10,11)

Upstream product

• 74-88-4 methyl iodide 
• 621-83-0 N-benzylthiourea 
• 100-46-9 benzylamine 
• 6582-56-5 Methyl N-Benzylcarbamimidothioate Hydroiodide 

Downstream Products

• 81067-82-5 N-benzyl-N'-aminoguanidine 
• 66497-32-3 benzyl-selenourea 

Relevant articles and documents

Aminoguanidine hydrazone derivatives as non-peptide NPFF1 receptor antagonists reverse opioid induced hyperalgesia

Neuropeptide FF receptors (NPFF1R and NPFF2R) and their endogenous ligand Neuropeptide FF have been shown previously to display anti-opioid properties and to play a critical role in the adverse effects associated with chronic administrations of opiates including the development of opioid-induced hyperalgesia and analgesic tolerance. In this work, we sought to identify novel NPFF receptors ligands by focusing our interest on a series of heterocycles as rigidified non-peptide NPFF receptor ligands, starting from already described aminoguanidine hydrazones (AGH's). Binding experiments and functional assays highlighted AGH 1n and its rigidified analog 2-amino-dihydropyrimidine 22e for in vivo experiments. As earlier shown with the prototypical dipeptide antagonist RF9, both 1n and 22e reduced significantly the long lasting fentanyl-induced hyperalgesia in rodents. Altogether these data indicate that AGH rigidification maintains nanomolar affinities for both NPFF receptors, while improving antagonist character towards NPFF1R.