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176214-15-6,MFCD06254764
Catalog No.:AA0024FI

176214-15-6 | 2-(Methylthio)-5-(trifluoromethyl)pyrimidine

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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0024FI
Chemical Name:
2-(Methylthio)-5-(trifluoromethyl)pyrimidine
CAS Number:
176214-15-6
Molecular Formula:
C6H5F3N2S
Molecular Weight:
194.1775
MDL Number:
MFCD06254764
SMILES:
CSc1ncc(cn1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
142  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Rotatable Bond Count:
1  
XLogP3:
1.9  

Downstream Synthesis Route

[1]Yamanaka,Hiroki;Takekawa,Tadashi;Morita,Kenji;Ishihara,Takashi;Gupton,JohnT.[TetrahedronLetters,1996,vol.37,#11,p.1829-1832]

628331-02-2    176214-15-6   
3-{3-(1-methylethyl)-1-5-(trifluoromethyl)pyrimidin-2-yl-1H-pyrazol-4-yl}-1-propanol 

[1]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-WO2003/99793,2003,A1Locationinpatent:Page230

[1]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-WO2003/99793,2003,A1Locationinpatent:Page233

[1]CurrentPatentAssignee:MITSUBISHICHEMICALHOLDINGSCORPORATION-EP2390254,2011,A1Locationinpatent:Page/Pagecolumn81

S-methylisothioureahemisulphate 
 
N-(3-(dimethylamino)-2-(trifluoromethyl)allylidene)-N-methylmethanaminiumhexafluorophosphate(V) 
  176214-15-6 

[1]CurrentPatentAssignee:MITSUBISHICHEMICALHOLDINGSCORPORATION-EP2390254,2011,A1Locationinpatent:Page/Pagecolumn81

Literature
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SDS
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Tags:176214-15-6 Molecular Formula|176214-15-6 MDL|176214-15-6 SMILES|176214-15-6 2-(Methylthio)-5-(trifluoromethyl)pyrimidine