2-Pyridinemethanethiol

Base Information

• Chemical Name: 2-Pyridinemethanethiol
• CAS No.: 2044-73-7
• Molecular Formula: C6H7NS
• Molecular Weight: 125.194
• Hs Code.: 2933399090
• European Community (EC) Number: 218-061-9
• NSC Number: 82320
• UNII: PB9B741VC3
• DSSTox Substance ID: DTXSID6062127
• Nikkaji Number: J52.346A
• Wikidata: Q27286450
• Metabolomics Workbench ID: 49331
• Mol file: 2044-73-7.mol

Synonyms:2-(Mercaptomethyl)pyridine;2-Picolylthiol;2-Pyridylmethanethiol;2-Pyridylmethyl mercaptan;NSC 82320;Pyridin-2-ylmethanethiol;Pyridine-2-thiocarbinol;

Chemical Property of 2-Pyridinemethanethiol

Chemical Property:

• Vapor Pressure: 0.306mmHg at 25°C
• Refractive Index: 1.571
• Boiling Point: 208.6 °C at 760 mmHg
• PKA: 8.93±0.10(Predicted)
• Flash Point: 79.9 °C
• PSA: 51.69000
• Density: 1.108 g/cm³
• LogP: 1.51140
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 125.02992040
• Heavy Atom Count: 8
• Complexity: 65.5

Purity/Quality:

99%, ^*data from raw suppliers

Pyridin-2-ylmethanethiol,inethylacetate 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NC(=C1)CS

Technology Process of 2-Pyridinemethanethiol

There total 18 articles about 2-Pyridinemethanethiol 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: 94.0%

thioacetic acid S‐pyridine‐2‐ylmethyl ester (35250-75-0) → 2-(sulfanylmethyl)pyridine (2044-73-7)

Guidance literature:

With water; potassium carbonate; In methanol; at 85 ℃; for 2.5h; Inert atmosphere;

DOI:10.1039/c2dt30798g

Reference yield: 88.0%

2-chloromethylpyridine (4377-33-7) → 2-(sulfanylmethyl)pyridine (2044-73-7)

Guidance literature:

With sodium hydrogensulfide; In ethanol; for 4h;

Reference yield: 86.0%

2-chloromethylpyridine hydrochloride (6959-47-3) + thiourea (17356-08-0) → 2-(sulfanylmethyl)pyridine (2044-73-7)

Guidance literature:

2-chloromethylpyridine hydrochloride; thiourea; In water; at 85 - 89 ℃; for 1h; Inert atmosphere;

With sodium hydroxide; In water; at 5 - 22 ℃; for 16h; Inert atmosphere;

upstream raw materials:

2-<2>Pyridylmethyl-isothioharnstoff

2-chloromethylpyridine hydrochloride

2-(2-pyridylmethyl)isothiourea dihydrochloride

3-Phenyl-5-pyridin-2-yl-2-thioxo-thiazolidin-4-one

Downstream raw materials:

di-α-pyridylmethyl disulfide

2-Oxo-4-(pyridin-2-ylmethylsulfanyl)-azetidine-1-carboxylic acid ((R)-1-phenyl-ethyl)-amide

C₄₀H₃₃NO₉S

(N-(2-mercapto-2-methylpropyl)-N-(4'-methoxyphenyl)aminato)(2-mercaptomethylpyridinato)oxorhenium(V)

Refernces

• 1、 Remuzon,Remuzon, Philippe,Bouzard,Bouzard, Daniel,DiCesare,DiCesare, Pierre,Essiz,Essiz, Munir,Jacquet,Jacquet, Jean-Pierre,Nicolau,Nicolau, Andrei,Martel,Martel, Alain,Menard,Menard, Marcel,Bachand,Bachand, Carol. "Studies toward the stereocontrolled synthesis of a key azetidinone-acid intermediate in the preparation of a new carbapenem". . p. 9657 - 9670. Retrieved 1995.
• 2、 -. "Fluorescent molecule for identifying mercury ions as well as preparation method and application". Paragraph 0108; 0110; 0111; 0112. . Retrieved 2019/01/08.