886-60-2

Basic information

• Product Name: 1-PHENYL-3-(2-PYRIDYL)-2-THIOUREA
• Synonyms: 1-phenyl-3-(2-pyridyl)-2-thio-ure;1-PHENYL-3-(2-PYRIDYL)-2-THIOUREA;1-phenyl-3-(2-pyridyl)thiourea;1-(2-Pyridinyl)-3-phenylthiourea;1-(2-Pyridyl)-3-phenylthiourea;1-Phenyl-3-(2-pyridinyl)thiourea;N-Phenyl-N'-(2-pyridinyl)thiourea;1-phenyl-3-pyridin-2-ylthiourea
• CAS NO: 886-60-2
• Molecular Formula: C₁₂H₁₁N₃S
• Molecular Weight: 229.3
• EINECS: 212-951-0
• Mol File: 886-60-2.mol
• Article Data: 36

Chemical Properties

• Melting Point: 173°C
• Boiling Point: 371 °C at 760 mmHg
• Flash Point: 178.2 °C
• Appearance: /
• Density: 1.341g/cm³
• Vapor Pressure: 1.06E-05mmHg at 25°C
• Refractive Index: 1.761
• CAS DataBase Reference: 1-PHENYL-3-(2-PYRIDYL)-2-THIOUREA(CAS DataBase Reference)
• NIST Chemistry Reference: 1-PHENYL-3-(2-PYRIDYL)-2-THIOUREA(886-60-2)
• EPA Substance Registry System: 1-PHENYL-3-(2-PYRIDYL)-2-THIOUREA(886-60-2)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 886-60-2(Hazardous Substances Data)

Usage

General Description

1-PHENYL-3-(2-PYRIDYL)-2-THIOUREA is a chemical compound with the molecular formula C12H10N4S. It is a thiourea derivative with a phenyl and pyridyl group attached to the thiourea functional group. 1-PHENYL-3-(2-PYRIDYL)-2-THIOUREA has been used in scientific research as a potential anti-tuberculosis agent and has shown promising antimicrobial activity against various strains of bacteria. Additionally, 1-PHENYL-3-(2-PYRIDYL)-2-THIOUREA has been studied for its potential use as a corrosion inhibitor for mild steel in acidic media. Its unique structure and properties make it a subject of interest in the fields of medicinal chemistry and material science.

InChI:InChI=1/C12H11N3S/c16-12(14-10-6-2-1-3-7-10)15-11-8-4-5-9-13-11/h1-9H,(H2,13,14,15,16)

Upstream product

• 504-29-0 2-aminopyridine 
• 103-72-0 phenyl isothiocyanate 
• 74734-11-5 1H-imidazole-1-carbodithioic acid methyl ester 
• 62-53-3 aniline 
• 52648-45-0 2-pyridylisothiocyanate 
• 54026-17-4 3-(2-pyridyl)-pyrido<1,2-a>-1,3,5-triazine-2,4-dithione 
• 103-71-9 phenyl isocyanate 
• 80913-42-4 3-Phenyl-pyrido<1,2-a>-1,3,5-triazin-4-on-2-thion 
• 538-51-2 benzylidene phenylamine 

Downstream Products

• 2327-17-5 N-phenyl-N'-(pyrid-2-yl)urea 
• 102275-03-6 N-phenyl-N'-[2]pyridyl-guanidine 
• 27420-41-3 2-hydroxy-4H-pyrido<1,2-a>pyrimidin-4-one 
• 26257-07-8 chloro-bis[1-phenyl-3-(2-pyridyl)-2-thiourea]copper(I) 
• 80291-21-0 VOCl₃(C₅NH₄NHCSNHC₆H₅) 
• 330548-34-0 ReO(N-phenyl-N'-(2-pyridyl)thiourea)2Cl₃ 
• 945734-43-0 (phenyl-3-(2-pyridyl)-2-thioureate)diphenylphosphinesilver(I) nitrate 
• 1257704-08-7 phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-ylamine 
• 36273-91-3 2-anilino-[1,2,4]thiadiazolo[2,3-a]pyridinylium; chloride 
• 36273-90-2 2-anilino-[1,2,4]thiadiazolo[2,3-a]pyridinylium; bromide 
• 961-53-5 3-phenyl-2-pyridin-2-ylimino-thiazolidin-4-one 
• 69437-77-0 2-Phenylimino-3-(2'-pyridyl)-thiazolidin-4-on 
• 985-23-9 5-(4-dimethylamino-benzylidene)-3-phenyl-2-pyridin-2-ylimino-thiazolidin-4-one 
• 986-36-7 5-(3,4-dimethoxy-benzylidene)-3-phenyl-2-pyridin-2-ylimino-thiazolidin-4-one 

Relevant articles and documents

Square planar Ni(II) complexes of pyridine-4-carbonyl-hydrazine carbodithioate, 1-phenyl-3-pyridin-2-yl-isothiourea and 4-(2-methoxyphenyl) piperazine-1-carbodithioate involving N-S bonding: An approach to DFT calculation and thermal studies

Three new complexes [H2en][Ni(pchc)2] (1) (pchc = pyridine-4-carbonyl-hydrazine carbodithioate), [Ni(Hppith)2] (2) (H2ppith = 1-phenyl-3-pyridin-2-yl-isothiourea) and [Ni(mppcdt) 2] (3) {mppcdt = 4-(2-methoxyphenyl)piperazine-1-carbodithioate} have been synthesized and characterized by elemental analyses, IR and single crystal X-ray diffraction data. The ligand H2ppith and complexes [H 2en][Ni(pchc)2] (1) [Ni(Hppith)2] (2) and [Ni(mppcdt)2] (3) crystallize in monoclinic, orthorhombic, monoclinic and triclinic system with space group P21/n, Icab, C2/c and P1, respectively. The nitrogen and sulfur donor sites of the bidentate ligands chelate Ni(II) forming two five-membered CSN2M chelate rings in the complex 1, two six membered C2SN2M rings in complex 2 and the sulfur donor sites of the bidentate ligand chelate Ni(II) forming two four membered CS2M rings in complex 3. The Ni(II) complexes are diamagnetic and have distorted square planar geometry. The crystal structure of the complexes are stabilized by various types of inter and intramolecular extended hydrogen bonding providing supramolecular framework. Results obtained from quantum chemical calculations at the density functional theory level corroborate our experimental findings from IR and UV. The course of the thermal degradation of complexes 1,2 and 3 has been investigated by TG-DTA. Thermogravimetric analyses of the complexes indicate NIO/NIS as the end residue.

Synthesis and structures of two N,N′-bis(2-pyridinyl)thioureas and N-(2-pyridinyl)-N′-(benzoyl)thiourea

N,N-′bis(4,6-lutidyl)thiourea, (4,6Lut)2Tu, triclinic, P-1, a = 7.4930(8), b = 8.7210(8), c = 12.6040(14) ?, α = 93.437(5), β = 94.919(5), γ = 110.246(5)°, V = 766.35(14) ?3 and Z = 2; N,N′-bis(5-picolyl)thiourea, (5Pic)2Tu, monoclinic, P21/c, a = 17.205(2), b = 4.4970(5), c = 17.425(2) ?, β = 117.763(5)°, V = 1272.6(3) ?3 and Z = 4 and N-(2-pyridyl)-N′-benzoylthiourea, PyTubenzo, monoclinic, P21/n, a = 5.345(3), b = 20.343(6), c = 11.808(2) ?, β = 90.23(3)°, V = 1290.8(1) ?3 and Z = 4. Intramolecular hydrogen bonding between N′H and the pyridyl nitrogen, intermolecular hydrogen bonding involving the thione sulfur and the NH hydrogen, and the planarity of the molecule is affected by substitution on the pyridine rings of the bis(2-pyridyl)thioureas. PyTubenzo has intramolecular hydrogen bonding to the carbonyl oxygen, intermolecular hydrogen bonding to a thione sulfur and is the least planar of the molecules under study. 1H NMR studies in CDCl3 show the NH′ hydrogen resonance considerably downfield from other resonances in the spectrum of the bis(2-pyridyl)thioureas.

Copper-Catalyzed Aerobic Oxidative [3+2] Annulation for the Synthesis of 5-Amino/Imino-Substituted 1,2,4-Thiadiazoles through C-N/N-S Bond Formation

A copper-catalyzed aerobic oxidative annulation reaction of 2-aminopyridine/amidine with isothiocyanate has been reported. This strategy involving C-N/N-S bond formations provides various 5-amino/imino-substituted 1,2,4-thiadiazole derivatives under a Cu/O2 catalytic system. This method has demonstrated high reactivity, mild reaction conditions, and a broad substrate scope. Furthermore, the synthetic utilities of the approach are demonstrated by further modifications.

Blue-light induced CO releasing properties of thiourea based manganese(I) carbonyl complexes

A new class of blue-light triggered carbon monoxide releasing molecules based on Mn(CO)3Br(N,S) ((N,S)?=?N,S-bidentate thiourea ligands) has been reported in this work. The 1H and 13C NMR analysis indicated that the thioureas coordinate to Mn(I) in the thione form. The stability test and the ability to derive CO to DMSO and myoglobin solution upon the exposure to 468?nm light source have been investigated. The benzothiazole-thiourea-CORM released only one CO equivalent, while the pyridine-analogs offered two molecules at the same experimental conditions. Natural bond orbital analysis has been carried out to give details about the hybridization of Mn–C and C[tbnd]O bonds, natural charge, electronic arrangement of metal ion and strength of interaction between Mn(I) and the coordination sites. Both functional, B3LYP and CAM-B3LYP compare well with the experimental findings, where the longest wavelength band is assigned to MLCT.