3-aminopyridine-2(1H)-thione

Base Information

• Chemical Name: 3-aminopyridine-2(1H)-thione
• CAS No.: 38240-21-0
• Molecular Formula: C5H6N2S
• Molecular Weight: 126.182
• Hs Code.: 2933399090
• European Community (EC) Number: 819-099-4
• DSSTox Substance ID: DTXSID80420161
• Mol file: 38240-21-0.mol

Synonyms:3-aminopyridine-2(1H)-thione;38240-21-0;3-aminopyridine-2-thiol;3-amino-1H-pyridine-2-thione;3-Amino-2(1H)-pyridinethione;2-Mercapto-3-aminopyridine;2(1H)-Pyridinethione, 3-amino-;792850-88-5;3-amino-1,2-dihydropyridine-2-thione;2-Pyridinethiol, 3-amino-;3-Amino-2-pyridinethiol;3-aminopyridine-2-thione;3-amino-2-mercaptopyridine;SCHEMBL1394984;3-azanyl-1H-pyridine-2-thione;2(1H)-pyridinethione,3-amino-;DTXSID80420161;ADMMJKIQWOJMSK-UHFFFAOYSA-N;CS-B0792;MFCD09757485;AKOS009436865;AKOS015909272;PB47347;DS-17539;FT-0656685;FT-0719629;EN300-40428;A824078;Z411993618

Chemical Property of 3-aminopyridine-2(1H)-thione

Chemical Property:

• Vapor Pressure: 0.0879mmHg at 25°C
• Melting Point: 129-130 °C
• Refractive Index: 1.7
• Boiling Point: 225.1 °C at 760 mmHg
• PKA: 9.15±0.40(Predicted)
• Flash Point: 90 °C
• PSA: 77.71000
• Density: 1.315 g/cm³
• LogP: 1.53370
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 126.02516937
• Heavy Atom Count: 8
• Complexity: 169

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Aminopyridine-2(1H)-thione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CNC(=S)C(=C1)N
• Uses: 3-Aminopyridine-2(1H)-thione is a useful reagent used in the synthesis of new benzothiazinophenoxazine ring systems.

Technology Process of 3-aminopyridine-2(1H)-thione

There total 12 articles about 3-aminopyridine-2(1H)-thione 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: 85.0%

3-nitropyridine-2(1H)-thione (38240-29-8) → 3-aminopyridine-2(1H)-thione (38240-21-0)

Guidance literature:

With water; iron; calcium chloride; In ethanol; for 4.5h; Heating;

DOI:10.1021/jo00342a050

Reference yield: 82.0%

2-chloro-3-aminopyridine (6298-19-7) → 2-mercapto-3-amino pyridine (38240-21-0,792850-88-5)

Guidance literature:

With potassium hydrosulfide; In various solvent(s); for 27h; Heating;

DOI:10.1002/jhet.5570170130

Reference yield:

sodium 3-amino-2-pyridinethiolate → 3-aminopyridine-2(1H)-thione (38240-21-0)

Guidance literature:

With hydrogenchloride; In water;

DOI:10.1007/s00044-016-1646-3

upstream raw materials:

2-aminothiazolo<5,4-b>pyridine

3-nitro-2-mercaptopyridine

2-chloro-3-aminopyridine

[1,3]thiazolo[5,4-b]pyridine

Downstream raw materials:

2-phenyl-1H-pyrrolo[3,2-b]pyridine

2-(methylthio)thiazolo[5,4-b]pyridine

2-mercaptothiazolo[5,4-b]pyridine

2-(chloromethyl)[1,3]thiazolo[5,4-b]pyridine

Refernces

• 1、 Okafor. "Studies in the heterocyclic series. XXII. New chemistry of azaphenothiazine and its precursors". . p. 592 - 594. Retrieved 1982.
• 2、 -. "Catechol diethers as selective PDE IV inhibitors". . . Retrieved 2008/06/13.