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75218-27-8,MFCD00618579
Catalog No.:AA005N41

75218-27-8 | 5-(3-Methylphenyl)-4h-1,2,4-triazole-3-thiol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$81.00   $57.00
- +
5g
95%
in stock  
$321.00   $225.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA005N41
Chemical Name:
5-(3-Methylphenyl)-4h-1,2,4-triazole-3-thiol
CAS Number:
75218-27-8
Molecular Formula:
C9H9N3S
Molecular Weight:
191.2529
MDL Number:
MFCD00618579
SMILES:
Cc1cccc(c1)c1nnc([nH]1)S
NSC Number:
625819
Properties
Properties
 
Form:
Solid  

Computed Properties
 
Complexity:
249  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.2  

Downstream Synthesis Route

[1]Yadav,LalDharSingh;Shukla,KripaNath;Singh,Harendra[ActaChimicaHungarica,1989,vol.126,#6,p.861-868]

[1]Yadav,LalDharSingh;Shukla,KripaNath;Singh,Harendra[ActaChimicaHungarica,1989,vol.126,#6,p.861-868]

[1]Channar,PervaizAli;Saeed,Aamer;Larik,FayazAli;Rashid,Sajid;Iqbal,Qaiser;Rozi,Maryam;Younis,Saima;Mahar,Jamaluddin[BiomedicineandPharmacotherapy,2017,vol.94,p.499-513]

[2]Mohan,Jag[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1999,vol.38,#7,p.867-868]

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

[4]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]

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

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

[1]Yadav,LalDharSingh;Shukla,KripaNath;Singh,Harendra[ActaChimicaHungarica,1989,vol.126,#6,p.861-868]

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: Use of the NP-40 detergent-mediated assay in discovery of inhibitors of beta-hematin crystallization.

Journal: Antimicrobial agents and chemotherapy 20110701

Quotation Request
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SDS
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Tags:75218-27-8 Molecular Formula|75218-27-8 MDL|75218-27-8 SMILES|75218-27-8 5-(3-Methylphenyl)-4h-1,2,4-triazole-3-thiol
Catalog No.: AA005N41
75218-27-8,MFCD00618579
75218-27-8 | 5-(3-Methylphenyl)-4h-1,2,4-triazole-3-thiol
Pack Size： 1g
Purity： 95%
in stock
$81.00 $57.00
Pack Size： 5g
Purity： 95%
in stock
$321.00 $225.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA005N41
Chemical Name: 5-(3-Methylphenyl)-4h-1,2,4-triazole-3-thiol
CAS Number: 75218-27-8
Molecular Formula: C9H9N3S
Molecular Weight: 191.2529
MDL Number: MFCD00618579
SMILES: Cc1cccc(c1)c1nnc([nH]1)S
NSC Number: 625819
Properties
Form: Solid  
Complexity: 249  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.2  
Downstream Synthesis Route
5429-22-1    75218-27-8    130087-68-2 

[1]Yadav,LalDharSingh;Shukla,KripaNath;Singh,Harendra[ActaChimicaHungarica,1989,vol.126,#6,p.861-868]

57427-86-8    75218-27-8    130087-69-3 

[1]Yadav,LalDharSingh;Shukla,KripaNath;Singh,Harendra[ActaChimicaHungarica,1989,vol.126,#6,p.861-868]

881-73-2    75218-27-8 

[1]Channar,PervaizAli;Saeed,Aamer;Larik,FayazAli;Rashid,Sajid;Iqbal,Qaiser;Rozi,Maryam;Younis,Saima;Mahar,Jamaluddin[BiomedicineandPharmacotherapy,2017,vol.94,p.499-513]

[2]Mohan,Jag[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1999,vol.38,#7,p.867-868]

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

[4]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]

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

75218-27-8    822-87-7    76700-09-9 

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

75218-27-8    15732-43-1    130087-67-1 

[1]Yadav,LalDharSingh;Shukla,KripaNath;Singh,Harendra[ActaChimicaHungarica,1989,vol.126,#6,p.861-868]

Literature fold

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 design20170801

Title: Use of the NP-40 detergent-mediated assay in discovery of inhibitors of beta-hematin crystallization.

Journal: Antimicrobial agents and chemotherapy20110701

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