1-(Pyridin-2-yl)thiourea

Base Information

• Chemical Name: 1-(Pyridin-2-yl)thiourea
• CAS No.: 14294-11-2
• Molecular Formula: C6H7N3S
• Molecular Weight: 153.208
• Hs Code.: 2933399090
• European Community (EC) Number: 673-673-7
• NSC Number: 176341
• DSSTox Substance ID: DTXSID40363424
• Nikkaji Number: J1.211.614D
• Mol file: 14294-11-2.mol

Synonyms:1-(Pyridin-2-yl)thiourea;14294-11-2;2-pyridylthiourea;pyridin-2-ylthiourea;1-(2-Pyridyl)-2-thiourea;N-2-pyridinyl-Thiourea;1-pyridin-2-ylthiourea;(2-Pyridyl)thiourea;(pyridin-2-yl)thiourea;N-(2-Pyridinyl)thiourea;pyridin-2-yl-thiourea;N-pyridin-2-ylthiourea;MFCD00041227;2-pyridyl thiourea;NSC176341;OCTYL TRIETHYLENE;N-pyridin-2-yl-thiourea;SCHEMBL525427;DTXSID40363424;STL140696;AKOS000269177;AM85580;BS-3847;CS-W018070;NSC-176341;s12067;AC-25137;SY050007;FT-0613400;P2272;EN300-27191;1-(pyridin-2-yl)thiourea;A23598;Z57106231;F1906-0018

Chemical Property of 1-(Pyridin-2-yl)thiourea

Chemical Property:

• Melting Point: 148-150°C
• Refractive Index: 1.651
• Boiling Point: 298.7 °C at 760 mmHg
• PKA: 12.00±0.70(Predicted)
• Flash Point: 134.4 °C
• PSA: 83.03000
• Density: 1.382 g/cm³
• LogP: 1.51040
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 153.03606841
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

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

2-Pyridylthiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R22:Harmful if swallowed.
• Hazard Codes: R22:Harmful if swallowed.
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NC(=C1)NC(=S)N
• Uses: 2-Pyridylthiourea is an intermediate used to prepare disubstituted thiazoles as potential antibacterial and antiinflammatory agents via condensation of phenacyl bromide with thioureas and thiosemicarbazones. It is also used in the synthesis of 2-amino-5-(thioaryl)thiazoles as potent and selective Itk inhibitors.

Technology Process of 1-(Pyridin-2-yl)thiourea

There total 15 articles about 1-(Pyridin-2-yl)thiourea 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: 88.0%

N-benzoyl-N'-(2-pyridyl)thiourea (4921-86-2) → 2-pyridylthiourea (14294-11-2)

Guidance literature:

With sodium hydroxide; at 80 - 89 ℃; for 0.166667h;

DOI:10.1055/s-1988-27605

Reference yield: 67.0%

→ 2-pyridylthiourea (14294-11-2)

Guidance literature:

In ethanol; at 20 ℃;

Reference yield: 64.0%

2-aminopyridine (504-29-0) + ammonium thiocyanate (1147550-11-5) → 2-pyridylthiourea (14294-11-2)

Guidance literature:

With hydrogenchloride; for 6h; Heating;

DOI:10.1080/10426500500366970

upstream raw materials:

N-benzoyl-N'-(2-pyridyl)thiourea

2-pyridylisothiocyanate

2-aminopyridine

ammonium thiocyanate

Downstream raw materials:

4-(5-Nitro-2-furyl)-2-(2-pyridylamino)thiazole

4-(3,4-Dihydroxyphenyl)-2-(2-pyridylamino)thiazole hydrochloride

4-(2,3,4-Trihydroxyphenyl)-2-(2-pyridylamino)thiazole hydrochloride

N-(4-(2-(pyridin-2-ylamino)thiazol-4-yl)phenyl)acetamide

Refernces

• 1、 Zhang, Weiwei,Li, Hui-Jing,Wang, Yiwei,Liu, Ying,Gu, Qing-Ze,Wu, Yan-Chao. "Gravimetric, electrochemical and surface studies on the anticorrosive properties of 1-(2-pyridyl)-2-thiourea and 2-(imidazol-2-yl)-pyridine for mild steel in hydrochloric acid". . p. 12649 - 12665. Retrieved 2018.
• 2、 -. "COMPOUNDS AND METHODS FOR MODULATING INTERLEUKIN-2-INDUCIBLE T-CELL KINASE". Paragraph 0893; 0896; 0897. . Retrieved 2018/05/27.