Home Amines 39181-45-8
39181-45-8,MFCD02664087
Catalog No.:AA00BZ42

39181-45-8 | 5-(4-Methylbenzyl)-1,3,4-thiadiazol-2-amine

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
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00BZ42
Chemical Name:
5-(4-Methylbenzyl)-1,3,4-thiadiazol-2-amine
CAS Number:
39181-45-8
Molecular Formula:
C10H11N3S
Molecular Weight:
205.2794
MDL Number:
MFCD02664087
SMILES:
Cc1ccc(cc1)Cc1nnc(s1)N
Properties
Properties
 
Form:
Solid  
MP:
208-212℃(Solv: ethanol (64-17-5))  

Computed Properties
 
Complexity:
180  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.3  

Downstream Synthesis Route

[1]CurrentPatentAssignee:MERCK&COINC-WO2006/17409,2006,A2Locationinpatent:Page/Pagecolumn97-98

[1]CurrentPatentAssignee:MERCK&COINC-WO2006/17409,2006,A2Locationinpatent:Page/Pagecolumn98

[1]Locationinpatent:experimentalpartKarki,SubhasS.;Panjamurthy,Kuppusamy;Kumar,Sujeet;Nambiar,Mridula;Ramareddy,SureshbabuA.;Chiruvella,KishoreK.;Raghavan,SatheesC.[EuropeanJournalofMedicinalChemistry,2011,vol.46,#6,p.2109-2116]

[2]Karki,SubhasS.;Rana,Vivek;Sivan,RamjithU.;Kumar,Sujeet;Renuka,Vinayakumar;Ramareddy,SureshbabuA.;Subbarao,PrasannaG.;Si,SudamC.[Actapoloniaepharmaceutica,2015,vol.72,#5,p.931-936]

[3]Locationinpatent:experimentalpartWickham,Stephanie;Regan,Nicholas;West,MatthewB.;Kumar,VidyaPrasanna;Thai,Justin;Li,PuiKai;Cook,PaulF.;Hanigan,MarieH.[JournalofEnzymeInhibitionandMedicinalChemistry,2012,vol.27,#4,p.476-489]

[4]An,Ran;Guo,Chun;Li,Qing;Li,Yan;Wang,Renxiao;Xu,Yaochun;Zhou,Mi[Bioorganicandmedicinalchemistryletters,2020]

[1]Locationinpatent:experimentalpartKarki,SubhasS.;Panjamurthy,Kuppusamy;Kumar,Sujeet;Nambiar,Mridula;Ramareddy,SureshbabuA.;Chiruvella,KishoreK.;Raghavan,SatheesC.[EuropeanJournalofMedicinalChemistry,2011,vol.46,#6,p.2109-2116]

[2]Kumar,Sujeet;Metikurki,Basavaraj;Bhadauria,VivekSingh;DeClercq,Erik;Schols,Dominique;Tokuda,Harukuni;Karki,SubhasS.[Actapoloniaepharmaceutica,2016,vol.73,#4,p.913-929]

Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Country:
Additional Info:
SDS
Tags:39181-45-8 Molecular Formula|39181-45-8 MDL|39181-45-8 SMILES|39181-45-8 5-(4-Methylbenzyl)-1,3,4-thiadiazol-2-amine