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54346-18-8,MFCD00661935
Catalog No.:AA00D7XD

54346-18-8 | 2-(Methylthio)pyrazolo[1,5-a][1,3,5]triazin-4(3h)-one

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$73.00   $51.00
- +
250mg
95%
in stock  
$113.00   $79.00
- +
500mg
95%
in stock  
$171.00   $120.00
- +
1g
95%
in stock  
$195.00   $137.00
- +
5g
95%
in stock  
$617.00   $432.00
- +
25g
97%
in stock  
$2,705.00   $1,894.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00D7XD
Chemical Name:
2-(Methylthio)pyrazolo[1,5-a][1,3,5]triazin-4(3h)-one
CAS Number:
54346-18-8
Molecular Formula:
C6H6N4OS
Molecular Weight:
182.2030
MDL Number:
MFCD00661935
SMILES:
CSc1nc(=O)n2c([nH]1)ccn2
Properties
Properties
 
Form:
Solid  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
242  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
0.7  

Upstream Synthesis Route

[1]Patent:WO2015/193169,,A1,.Locationinpatent:Page/Pagecolumn50;51

[1]Patent:,2015,,.Locationinpatent:Page/Pagecolumn50;51

[3]BioorganicandMedicinalChemistry,2011,vol.19,#20,p.5955-5966

[4]Patent:US2007/78136,2007,A1,.Locationinpatent:Page/Pagecolumn50

[5]Patent:WO2011/79231,2011,A1,.Locationinpatent:Page/Pagecolumn105

[6]Patent:WO2012/17030,2012,A1,.Locationinpatent:Page/Pagecolumn13

[7]Patent:US2013/109694,2013,A1,.Locationinpatent:Paragraph0076

[8]Patent:WO2014/189830,2014,A1,.Locationinpatent:Page/Pagecolumn62

[1]BioorganicandMedicinalChemistry,2011,vol.19,#20,p.5955-5966

[2]Patent:WO2011/79231,2011,A1,

[3]Patent:WO2015/193169,,A1,

[3]Patent:,2015,,

[1]Patent:WO2012/17030,2012,A1,

[2]Patent:US2013/109694,2013,A1,

[3]Patent:WO2014/189830,2014,A1,

[1]BioorganicandMedicinalChemistry,2011,vol.19,#20,p.5955-5966

[2]Patent:US2007/78136,2007,A1,.Locationinpatent:Page/Pagecolumn50

[3]Patent:WO2011/31979,2011,A1,.Locationinpatent:Page/Pagecolumn147

[4]Patent:US9303033,2016,B2,.Locationinpatent:Page/Pagecolumn285;286

[5]Patent:JP5802676,2015,B2,.Locationinpatent:Paragraph0552

[6]Patent:WO2011/79231,2011,A1,.Locationinpatent:Page/Pagecolumn105

[7]Patent:WO2012/17030,2012,A1,.Locationinpatent:Page/Pagecolumn13-14

[8]Patent:US2013/109694,2013,A1,.Locationinpatent:Paragraph0077

[9]Patent:WO2015/193169,,A1,.Locationinpatent:Page/Pagecolumn54;55

[9]Patent:,2015,,.Locationinpatent:Page/Pagecolumn54;55

[11]Patent:WO2016/142855,2016,A2,.Locationinpatent:Page/Pagecolumn41

[1]Patent:WO2009/126514,2009,A1,.Locationinpatent:Page/Pagecolumn36

Downstream Synthesis Route

[1]Synthesis,2007,p.367-374

[2]Patent:WO2014/189830,2014,A1.Locationinpatent:Page/Pagecolumn62;63

[1]Synthesis,2007,p.367-374

54346-18-8   
8-acetyl-4-(N-methyl-N-phenylamino)-2-(methylsulfanyl)pyrazolo1,5-a-1,3,5-triazine 

[1]Synthesis,2007,p.367-374

54346-18-8   
4-(N-methyl-N-phenylamino)-2-methylsulfanyl-8-phenylpyrazolo1,5-a-1,3,5-triazine 

[1]Synthesis,2007,p.367-374

54346-18-8   
4-(N-methyl-N-phenylamino)-2-methylsulfanyl-8-(pentyn-1-yl)pyrazolo1,5-a-1,3,5-triazine 

[1]Synthesis,2007,p.367-374

Literature
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Tags:54346-18-8 Molecular Formula|54346-18-8 MDL|54346-18-8 SMILES|54346-18-8 2-(Methylthio)pyrazolo[1,5-a][1,3,5]triazin-4(3h)-one