2-Mercaptomethylpyrazine

Base Information

• Chemical Name: 2-Mercaptomethylpyrazine
• CAS No.: 59021-02-2
• Molecular Formula: C5H6N2S
• Molecular Weight: 126.182
• European Community (EC) Number: 662-757-9
• UNII: CUV3XV379F
• DSSTox Substance ID: DTXSID3069302
• Nikkaji Number: J429.384C
• Wikidata: Q27275813
• Metabolomics Workbench ID: 47247
• Mol file: 59021-02-2.mol

Synonyms:2-Mercaptomethylpyrazine;pyrazin-2-ylmethanethiol;59021-02-2;Pyrazinemethanethiol;Pyrazinylmethyl mercaptan;2-(mercaptomethyl)pyrazine;2-Pyrazinemethanethiol;2-mercaptomethyl pyrazine;FEMA No. 3299;Pyrazine, 2-mercaptomethyl-;BRN 0878425;UNII-CUV3XV379F;CUV3XV379F;MERCAPTOMETHYL PYRAZINE;2-Mercaptomethyl-Pyrazine;(pyrazin-2-yl)methanethiol;SCHEMBL1325918;DTXSID3069302;CHEBI:166526;AKOS006271823;2-MERCAPTOMETHYL PYRAZINE [FHFI];LS-127616;CS-0356148;FT-0655797;EN300-1289059;A832113;Q27275813

Chemical Property of 2-Mercaptomethylpyrazine

Chemical Property:

• Vapor Pressure: 0.134mmHg at 25°C
• Refractive Index: 1.577
• Boiling Point: 224.816 °C at 760 mmHg
• PKA: 8.73±0.25(Predicted)
• Flash Point: 89.766 °C
• PSA: 64.58000
• Density: 1.188 g/cm³
• LogP: 0.90640
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 126.02516937
• Heavy Atom Count: 8
• Complexity: 67.4

Purity/Quality:

99% ^*data from raw suppliers

2-MERCAPTOMETHYLPYRAZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(C=N1)CS

Technology Process of 2-Mercaptomethylpyrazine

There total 8 articles about 2-Mercaptomethylpyrazine 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:

S-(pyrazin-2-ylmethyl) ethanethioate → 2-(mercaptomethyl)pyrazine (59021-02-2)

Guidance literature:

With potassium hydroxide; In tetrahydrofuran; water; at 20 ℃; for 1h;

Reference yield:

2-Pyrazin-2-ylmethyl-isothiourea; hydrochloride (82081-56-9) → 2-(mercaptomethyl)pyrazine (59021-02-2)

Guidance literature:

With sodium hydroxide; at 70 ℃;

DOI:10.1021/jm00384a004

Reference yield:

2-Pyrazin-2-ylmethyl-isothiourea; hydrochloride (82081-56-9) → 2-(mercaptomethyl)pyrazine (59021-02-2)

Guidance literature:

With sodium hydroxide; In water; for 1h; Yield given; Heating;

upstream raw materials:

2-Pyrazin-2-ylmethyl-isothiourea; hydrochloride

2-Pyrazin-2-ylmethyl-isothiourea; hydrochloride

2-Methylpyrazine

2-(chloromethyl)pyrazine

Downstream raw materials:

diphenylmethyl 7β-formamido-3-[(pyrazin-2-yl)methylthio]-3-cephem-4-carboxylate

diphenylmethyl 7β-amino-3-[(pyrazin-2-yl)methylthio]-3-cephem-4-carboxylate

7β-[(Z)-2-(2-aminothiazol-4-yl)-2-(trityloxyimino)acetamido]-3-[(pyrazin-2-yl)methylthio]-3-cephem-4-carboxylic acid

Refernces

• 1、 -. "COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY". . . Retrieved 2019/09/18.
• 2、 Barnes,Fatome,Esslemont,Jones. "N-heterocyclic compounds as radioprotectors. 1. 2-Pyridinemethanethiol, 2-pyrazinemethanethiol and related compounds". . p. 515 - 519. Retrieved 2007/10/02.