Home Amines 39181-40-3
39181-40-3,MFCD00469726
Catalog No.:AA0075ZL

39181-40-3 | 5-(2-Phenylethyl)-1,3,4-thiadiazol-2-amine

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250mg
≥ 98% (HPLC)
in stock  
$92.00   $64.00
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1g
95%
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$123.00   $86.00
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5g
≥ 98% (HPLC)
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$418.00   $293.00
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25g
≥ 98% (HPLC)
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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:
AA0075ZL
Chemical Name:
5-(2-Phenylethyl)-1,3,4-thiadiazol-2-amine
CAS Number:
39181-40-3
Molecular Formula:
C10H11N3S
Molecular Weight:
205.2794
MDL Number:
MFCD00469726
SMILES:
Nc1nnc(s1)CCc1ccccc1
Properties
Computed Properties
 
Complexity:
171  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
2.3  

Downstream Synthesis Route

[1]Locationinpatent:experimentalpartGuan,Peng;Sun,Feng'E;Hou,Xuben;Wang,Feng;Yi,Fan;Xu,Wenfang;Fang,Hao[BioorganicandMedicinalChemistry,2012,vol.20,#12,p.3865-3872]

[2]Gadomsky,SvyatoslavY.;Kokovina,TatianaS.;Sanina,NataliyaA.;Terentiev,AlexeiA.[Molecules,2021,vol.26,#17]

[3]Locationinpatent:experimentalpartFerrari,Stefania;Morandi,Federica;Motiejunas,Domantas;Nerini,Erika;Henrich,Stefan;Luciani,Rosaria;Venturelli,Alberto;Lazzari,Sandra;Calò,Samuele;Gupta,Shreedhara;Hannaert,Veronique;Michels,PaulA.M.;Wade,RebeccaC.;Costi,M.Paola[JournalofMedicinalChemistry,2011,vol.54,#1,p.211-221]

[1]Locationinpatent:experimentalpartGuan,Peng;Sun,Feng'E;Hou,Xuben;Wang,Feng;Yi,Fan;Xu,Wenfang;Fang,Hao[BioorganicandMedicinalChemistry,2012,vol.20,#12,p.3865-3872]

Literature

Title: Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase.

Journal: Journal of medicinal chemistry 20110113

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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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SDS
Tags:39181-40-3 Molecular Formula|39181-40-3 MDL|39181-40-3 SMILES|39181-40-3 5-(2-Phenylethyl)-1,3,4-thiadiazol-2-amine