[1,2,4]Triazolo[4,3-a]pyridine-3-thiol

Base Information

• Chemical Name: [1,2,4]Triazolo[4,3-a]pyridine-3-thiol
• CAS No.: 6952-68-7
• Molecular Formula: C6H5N3S
• Molecular Weight: 151.192
• Hs Code.: 2933990090
• European Community (EC) Number: 640-875-1
• NSC Number: 70716
• UNII: T0RLY3OSJ5
• DSSTox Substance ID: DTXSID60219772
• Nikkaji Number: J512.438G
• ChEMBL ID: CHEMBL1698968
• Mol file: 6952-68-7.mol

Synonyms:[1,2,4]triazolo[4,3-a]pyridine-3-thiol;6952-68-7;1,2,4-Triazolo[4,3-a]pyridine-3(2H)-thione;2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione;[1,2,4]Triazolo[4,3-a]pyridine-3(2H)-thione;S-Triazolo[4,3-a]pyridine-3(2H)-thione;3-Mercaptotriazolo[4,3-a]pyridine;NSC70716;T0RLY3OSJ5;(1,2,4)Triazolo(4,3-a)pyridine-3(2H)-thione;MLS002693693;MFCD03783345;NSC-70716;1,2,4-Triazolo(4,3-a)pyridine-3-thiol;1,2,4-Triazolo[4,3-a]pyridine-3-thiol;3-mercapto-1,2,4-triazolo[4,3-a]pyridine;3-MERCAPTOTRIAZOLO(4,3-A)PYRIDINE;3-mercapto-1,2,4-triazolo(4,3-a)pyridine;S-TRIAZOLO(4,3-A)PYRIDINE-3(2H)-THIONE;1,2,4-TRIAZOLO(4,3-A)PYRIDINE-3(2H)-THIONE;NSC 70716;UNII-T0RLY3OSJ5;NCIOpen2_000579;[1,2,4]TRIAZOL[4,3-A]PYRIDINE-3-THIOL;SCHEMBL253753;CHEMBL1698968;SCHEMBL18126808;DTXSID60219772;HMS1666A19;HMS1763D01;HMS3102L19;BBL010253;CCG-54853;STK801524;STL191162;3-Mercaptopyrido[2,1-c]-S-triazole;AKOS000115870;AKOS000266882;3-mercapto-s-triazolo[4,3-a]pyridine;AS-5645;MB02937;SMR001349672;S-TRIAZOLO(4,3-A)PYRIDINE-3-THIOL;CS-0085157;FT-0605390;1,4-Triazolo[4,3-a]pyridine-3(2H)-thione;EN300-02996;A19068;W13405;SR-01000399687;SR-01000399687-1;SR-01000643918-1;Z56767793;F0239-0915;F2113-0216

Chemical Property of [1,2,4]Triazolo[4,3-a]pyridine-3-thiol

Chemical Property:

• Vapor Pressure: 0.0511mmHg at 25°C
• Melting Point: 209-210℃
• Refractive Index: 1.784
• Boiling Point: 235.1 °C at 760 mmHg
• Flash Point: 96 °C
• PSA: 65.18000
• Density: 1.49 g/cm³
• LogP: 1.39190
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated)
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 151.02041835
• Heavy Atom Count: 10
• Complexity: 264

Purity/Quality:

98%min ^*data from raw suppliers

[1,2,4]Triazolo[4,3-a]pyridine-3-thiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Hazard Codes: Xn:Harmful
• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Safety Statements: S36/37:Wear suitable protective clothing and gloves.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=NNC(=S)N2C=C1

Technology Process of [1,2,4]Triazolo[4,3-a]pyridine-3-thiol

There total 9 articles about [1,2,4]Triazolo[4,3-a]pyridine-3-thiol 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%

→ 1,2,4-triazolo<4,3-a>pyridin-3-thiol (6952-68-7)

Guidance literature:

Reference yield: 87.0%

carbon disulfide (75-15-0,12122-00-8) + pyrid-2-ylhydrazine (4930-98-7) → [1,2,4]triazolo [4,3-a]pyridine-3(2H)-thione (6952-68-7)

Guidance literature:

In chloroform; at 65 ℃; for 18h;

DOI:10.1016/j.ejmech.2018.06.041

Reference yield:

2-bromo-pyridine (109-04-6) → [1,2,4]triazolo [4,3-a]pyridine-3(2H)-thione (6952-68-7)

Guidance literature:

Multi-step reaction with 2 steps

1: N₂H₄+H₂O

2: CHCl₃

With chloroform; hydrazine hydrate;

DOI:10.1021/ja01184a027

upstream raw materials:

pyrid-2-ylhydrazine

potassium trithiocarbonate

phenyl isothiocyanate

ethanol

Downstream raw materials:

3-((2-(4-(2,4-difluorophenyl)-piperazin-1-yl)ethyl)thio)-[1,2,4]triazolo[4,3-a]pyridine

phenyl [6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulphanyl)-1,3-benzothiazol-2-yl]carbamate

4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulphanyl)aniline

3-[(4-nitrophenyl)sulphanyl][1,2,4]triazolo[4,3-a]pyridine

Refernces

• 1、 Yang, Ling-Ling,Wang, Hua-Li,Zhong, Lei,Yuan, Chen,Liu, Si-Yu,Yu, Zhu-Jun,Liu, Sha,Yan, Yu-Hang,Wu, Chengyong,Wang, Yuxi,Wang, Zhouyu,Yu, Yamei,Chen, Qiang,Li, Guo-Bo. "X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells". supporting information. p. 806 - 823. Retrieved 2018/06/27.