1-Phenyl-3-(pyridin-3-ylmethyl)thiourea

Base Information

• Chemical Name: 1-Phenyl-3-(pyridin-3-ylmethyl)thiourea
• CAS No.: 201215-93-2
• Molecular Formula: C13H13N3S
• Molecular Weight: 243.332
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID80355520
• Wikidata: Q82134477
• ChEMBL ID: CHEMBL2391569
• Mol file: 201215-93-2.mol

Synonyms:1-phenyl-3-(pyridin-3-ylmethyl)thiourea;201215-93-2;1-Phenyl-3-((pyridin-3-yl)methyl)thiourea;1-Phenyl-3-[(pyridin-3-yl)methyl]thiourea;CHEMBL2391569;1-BENZYL-3-((PYRIDIN-3-YL)METHYL)THIOUREA;N-phenyl-N'-(pyridin-3-ylmethyl)thiourea;SCHEMBL16566454;DTXSID80355520;HMS1786P05;BDBM50435355;MFCD00088576;STK112747;AKOS000581061;AS-40875;1-phenyl-3-(3-pyridylmethyl)-2-thiourea;CS-0215499;EN300-25455;Z45804994

Chemical Property of 1-Phenyl-3-(pyridin-3-ylmethyl)thiourea

Chemical Property:

• PSA: 76.08000
• LogP: 3.05250
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 243.08301860
• Heavy Atom Count: 17
• Complexity: 239

Purity/Quality:

98% ^*data from raw suppliers

1-Phenyl-3-((pyridin-3-yl)methyl)thiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=S)NCC2=CN=CC=C2

Technology Process of 1-Phenyl-3-(pyridin-3-ylmethyl)thiourea

There total 1 articles about 1-Phenyl-3-(pyridin-3-ylmethyl)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: 80.0%

3-Aminomethylpyridine (3731-52-0) + phenyl isothiocyanate (103-72-0) → N-(3-pyridinylmethyl)-N'-phenyl thiourea (201215-93-2)

Guidance literature:

In dichloromethane; at 0 ℃; for 0.75h;

DOI:10.1016/j.ejmech.2014.01.001

Reference yield: 80.0%

N-(3-pyridinylmethyl)-N'-phenyl thiourea (201215-93-2) + 2-Bromo-4'-methoxyacetophenone (2632-13-5) → [4-(4-methoxy-phenyl)-3-phenyl-3H-thiazol-2-ylidene]-pyridin-3-ylmethyl-amine

Guidance literature:

In ethanol; for 5h; Heating;

DOI:10.1016/S0014-827X(02)01250-8

Reference yield: 80.0%

N-(3-pyridinylmethyl)-N'-phenyl thiourea (201215-93-2) + 2-chloro-1-(4-methoxyphenyl)ethanone (2196-99-8) → [4-(4-methoxy-phenyl)-3-phenyl-3H-thiazol-2-ylidene]-pyridin-3-ylmethyl-amine

Guidance literature:

In ethanol; for 5h; Heating;

DOI:10.1016/S0014-827X(02)01250-8

upstream raw materials:

3-Aminomethylpyridine

phenyl isothiocyanate

Downstream raw materials:

1-Phenyl-4-pyridin-2-yl-1,3-diaza-spiro[4.5]decane-2-thione