Pyrazineethanethiol

Base Information

• Chemical Name: Pyrazineethanethiol
• CAS No.: 35250-53-4
• Molecular Formula: C6H8N2S
• Molecular Weight: 140.209
• Hs Code.: 29339900
• European Community (EC) Number: 609-107-2
• UNII: F7I6G0E56F
• DSSTox Substance ID: DTXSID2025977
• Nikkaji Number: J34.797C
• Wikidata: Q27277768
• Metabolomics Workbench ID: 47658
• ChEMBL ID: CHEMBL3186300
• Mol file: 35250-53-4.mol

Synonyms:Pyrazineethanethiol;35250-53-4;2-Pyrazinylethanethiol;2-pyrazin-2-ylethanethiol;2-(pyrazin-2-yl)ethanethiol;(2-Mercaptoethyl)pyrazine;2-(2-Mercaptoethyl)pyrazine;pyrazine ethanethiol;2-Pyrazineethanethiol;2-Pyrazinylethylmercaptan;Mercaptoethylpyrazine;Pyrazinyl ethanethiol;FEMA 3230;FEMA No. 3230;Ethanethiol, 2-pyrazinyl-;BRN 0774932;UNII-F7I6G0E56F;F7I6G0E56F;DTXSID2025977;2-(pyrazin-2-yl)ethane-1-thiol;5-23-11-00173 (Beilstein Handbook Reference);2-PYRAZINE ETHANETHIOL;pyrazinyl ethane thiol;2-pyrazineethane thiol;2-Pyrazinyl-Ethanethiol;beta-Mercaptoethyl pyrazine;2-Pyrazinyl-ethyl mercaptan;PYRAZINYLETHYLMERCAPTAN;SCHEMBL978915;DTXCID205977;CHEMBL3186300;FEMA-3230;Pyrazineethanethiol, >=97%, FG;PYRAZINE ETHANETHIOL [FHFI];AMY23174;Tox21_302691;MFCD00053160;AKOS015856580;LS-1227;NCGC00256675-01;CAS-35250-53-4;FT-0655191;M1845;T72349;EN300-1699993;Q27277768

Chemical Property of Pyrazineethanethiol

Chemical Property:

• Vapor Pressure: 0.0569mmHg at 25°C
• Refractive Index: n20/D 1.567(lit.)
• Boiling Point: 241 °C at 760 mmHg
• PKA: 9.82±0.10(Predicted)
• Flash Point: 99.6 °C
• PSA: 64.58000
• Density: 1.142 g/cm³
• LogP: 0.94890
• Storage Temp.: Refrigerator
• Water Solubility.: Partly soluble in water, soluble in most organic solvents.
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 140.04081944
• Heavy Atom Count: 9
• Complexity: 77.5

Purity/Quality:

98% ^*data from raw suppliers

(2-Mercaptoethyl)pyrazine >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25-36/37/38
• Safety Statements: 36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(C=N1)CCS
• Uses: 2-(2-Mercaptoethyl)pyrazine is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals, petrochemicals and dyestuff. It is used as a flavoring agent has a sulfurous type odor and a meaty type flavor.

Technology Process of Pyrazineethanethiol

There total 1 articles about Pyrazineethanethiol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ 2-(2-mercaptoethyl)pirazine (35250-53-4)

Guidance literature:

Vinylverb., Thioverb., Hydrolyse;

Reference yield: 84.0%

2-(4-cyanobenzyl)-1-methoxypersulfide + 2-(2-mercaptoethyl)pirazine (35250-53-4) → C14H13N3S3

Guidance literature:

In dichloromethane; at 20 ℃; for 8h; Inert atmosphere; Green chemistry;

Reference yield: 82.0%

cyclohexylamine (108-91-8,157973-60-9) + 2-(2-mercaptoethyl)pirazine (35250-53-4) → N-cyclohexyl-2-(pyrazin-2-yl)ethane-1-sulfonamide

Guidance literature:

With hydrogenchloride; tetramethylammonium tetrafluoroborate; In water; acetonitrile; at 20 ℃; for 0.0833333h; Electrochemical reaction;

DOI:10.1021/jacs.9b02266 DOI:10.1021/jacs.9b02266

Downstream raw materials:

2-methyl-2-phenyl-5-[2-[(2-pyrazin-2-ylethyl)thio]-2-(thien-3-yl)ethyl]furan-3(2H)-one

1-(3,4-dimethoxyphenyl)-3-{[2-(pyrazin-2-yl)ethyl]thio}pyrazine-2(1H)-one

3-iodo-4-(3,5-dimethylphenylsulfanyl)-6-methyl-5-(2-pyrazin-2-yl-ethylthiomethyl)pyridin-2(1H)-one

2,3,5,6-tetrakis(2-(pyrazin-2-yl)ethylthio)cyclohexa-2,5-diene-1,4-dione