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26028-65-9,MFCD00174362
Catalog No.:AA002RCH

26028-65-9 | 5-(4-Chlorophenyl)-4H-1,2,4-triazole-3-thiol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$21.00   $15.00
- +
1g
98%
in stock  
$52.00   $36.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002RCH
Chemical Name:
5-(4-Chlorophenyl)-4H-1,2,4-triazole-3-thiol
CAS Number:
26028-65-9
Molecular Formula:
C8H6ClN3S
Molecular Weight:
211.6713
MDL Number:
MFCD00174362
SMILES:
Clc1ccc(cc1)c1[nH][nH]c(=S)n1
Properties
Properties
 
Form:
Solid  
MP:
295-299℃(lit.)  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
246  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
2.5  

Downstream Synthesis Route

[1]Hoggarth[JournaloftheChemicalSociety,1949,p.1163,1167][JournaloftheChemicalSociety,1950,p.1579,1581]

[1]Shahzad,SohailAnjum;Yar,Muhammad;Khan,ZulfiqarAli;Shahzadi,Lubna;Naqvi,SyedAliRaza;Mahmood,Adeem;Ullah,Sami;Shaikh,AhsonJabbar;Sherazi,TauqirAli;Bale,AdebayoTajudeen;Kukułowicz,Jędrzej;Bajda,Marek[BioorganicChemistry,2019,vol.85,p.209-220]

[2]Zhou,Wenjuan;Xu,Chenhao;Dong,Guanjun;Qiao,Hui;Yang,Jing;Liu,Hongmin;Ding,Lina;Sun,Kai;Zhao,Wen[EuropeanJournalofMedicinalChemistry,2021,vol.217]

[3]Sahu;Nayak[JournaloftheIndianChemicalSociety,1990,vol.67,#3,p.226-228]

[4]Balse,MuktaN.;Mahajanshetti,C.S.[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1980,vol.19,#4,p.260-262]

[5]Sarfraz,TahiraB.;Husain,ShaheenA.;Murtaza,Najma;Siddiqui,BinaS.[PakistanJournalofScientificandIndustrialResearch,2000,vol.43,#5-6,p.334-337]

[6]Locationinpatent:experimentalpartKalluraya,Balakrishna;Nayak,Janardhana;Adhikari,Adithya;Sujith;Shetty,N.Sucheta;Winter,Manuela[Phosphorus,SulfurandSiliconandtheRelatedElements,2008,vol.183,#8,p.1870-1883]

[7]Locationinpatent:schemeortableChao,Shu-Jun;Geng,Ming-Jiang;Wang,Ying-Ling[JournaloftheKoreanChemicalSociety,2010,vol.54,#6,p.731-736]

[8]Locationinpatent:bodytextMohammedIqbal;Khan,AshrafY.;Kalashetti,MallikarjunB.;Belavagi,NingaraddiS.;Gong,Young-Dae;Khazi,ImitiyazAhmedM.[EuropeanJournalofMedicinalChemistry,2012,vol.53,p.308-315]

[9]Guda,DinneswaraReddy;Wang,Tengjiao;Cho,HyeonMo;Lee,MyongEuy[TetrahedronLetters,2012,vol.53,#39,p.5238-5242]

[10]Wei,Zhi-Yu;Cui,Bai-Ri;Cui,Xun;Wu,Yan-Ling;Fu,Yang;Liu,Li-Ping;Piao,Hu-Ri[ChemicalBiologyandDrugDesign,2017,vol.89,#1,p.47-60]

[11]Du,Dan;Jin,Zhen;Shen,Rong;Tang,You-Zhi;Wang,Rui;Wang,Xiao;Zhang,Guang-Yu;Zhang,Zhao-Sheng[EuropeanJournalofMedicinalChemistry,2022,vol.237]

[1]Sahu;Nayak[JournaloftheIndianChemicalSociety,1990,vol.67,#3,p.226-228]

[1]Balse,MuktaN.;Mahajanshetti,C.S.[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1980,vol.19,#4,p.260-262]

[1]Heydenhauss,Dietrich;Jaenecke,Guenter;Feuerstein,Bernd[ZeitschriftfurChemie,1981,vol.21,#1,p.31-32]

Literature

Title: Synthesis and biological evaluation of 1,2,4-triazole-3-thione and 1,3,4-oxadiazole-2-thione as antimycobacterial agents.

Journal: Chemical biology & drug design 20170801

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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