Home Amines 45534-08-5
45534-08-5,MFCD00005232
Catalog No.:AA003ITX

45534-08-5 | 3-Amino-5-methylthio-1h-1,2,4-triazole

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1g
95%
in stock  
$18.00   $13.00
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5g
95%
in stock  
$34.00   $24.00
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25g
95%
in stock  
$107.00   $75.00
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100g
98%
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$315.00   $220.00
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500g
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$1,293.00   $905.00
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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:
AA003ITX
Chemical Name:
3-Amino-5-methylthio-1h-1,2,4-triazole
CAS Number:
45534-08-5
Molecular Formula:
C3H6N4S
Molecular Weight:
130.1715
MDL Number:
MFCD00005232
SMILES:
CSc1nc(n[nH]1)N
NSC Number:
178858
Properties
Properties
 
BP:
393.7°C at 760 mmHg  
Form:
Solid  
MP:
130-133 °C(lit.)  
Refractive Index:
1.5605 (estimate)  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
77.7  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
0.5  

Downstream Synthesis Route
45534-08-5    15646-46-5   
4-1-(5-Methylsulfanyl-1H-1,2,4triazol-3-ylamino)-meth-(Z)-ylidene-2-phenyl-4H-oxazol-5-one 

[1]Kepe,Vladimir;Kocevar,Marijan;Polanc,Slovenko[Heterocycles,1993,vol.35,#2,p.955-964]

45534-08-5    15646-46-5   
N-<2-methylthio-7-oxo-4,7-dihydro-<1,2,4>-triazolo<1,5-a>pyrimidin-6-yl>benzamide 

[1]Kepe,Vladimir;Kocevar,Marijan;Polanc,Slovenko[Heterocycles,1993,vol.35,#2,p.955-964]

[1]JournalofHeterocyclicChemistry,1987,vol.24,p.1503-1508

1442-03-1    45534-08-5   
(5-Amino-3-methylsulfanyl-1,2,4triazol-1-yl)-(2-methylsulfanyl-phenyl)-methanone 

[1]ArchivderPharmazie,1986,vol.319,p.238-242

[1]Kuenstlinger,M.;Breitmaier,E.[Synthesis,1983,#1,p.44-47]

Literature

Title: Ethyl 7-chloro-methyl-5-(2-chloro-phen-yl)-7-hydr-oxy-2-methyl-sulfanyl-4,5,6,7-tetra-hydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxyl-ate.

Journal: Acta crystallographica. Section E, Structure reports online 20091101

Title: Ethyl 5-chloro-methyl-2-methyl-sulfanyl-7-phenyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxyl-ate.

Journal: Acta crystallographica. Section E, Structure reports online 20080101

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SDS
Tags:45534-08-5 Molecular Formula|45534-08-5 MDL|45534-08-5 SMILES|45534-08-5 3-Amino-5-methylthio-1h-1,2,4-triazole