Home Fluorides 20069-30-1
20069-30-1,MFCD00041291
Catalog No.:AA002CU4

20069-30-1 | 4-[3-(Trifluoromethyl)phenyl]-3-thiosemicarbazide

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1g
95%
in stock  
$112.00   $78.00
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5g
95%
in stock  
$411.00   $288.00
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  • Technical Information
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  • Downstream Synthesis Route
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Technical Information
Catalog Number:
AA002CU4
Chemical Name:
4-[3-(Trifluoromethyl)phenyl]-3-thiosemicarbazide
CAS Number:
20069-30-1
Molecular Formula:
C8H8F3N3S
Molecular Weight:
235.2294
MDL Number:
MFCD00041291
SMILES:
NNC(=S)Nc1cccc(c1)C(F)(F)F
Properties
Properties
 
Form:
Solid  
MP:
120-122°C  

Computed Properties
 
Complexity:
232  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
1  
XLogP3:
2.2  

Downstream Synthesis Route

[1]Fields;Lin;Warren;LangJr.[JournalofHeterocyclicChemistry,1988,vol.25,#6,p.1917-1918]

16264-88-3    20069-30-1   
3-(3-chlorophenyl)-2-pyrazoline-1-(N-3-tri-fluoromethylphenyl)thiocarboxamide 

[1]Du,Xiaohui;Guo,Chun;Hansell,Elizabeth;Doyle,PatriciaS.;Caffrey,ConorR.;Holler,TodP.;McKerrow,JamesH.;Cohen,FredE.[JournalofMedicinalChemistry,2002,vol.45,#13,p.2695-2707]

778590-49-1    20069-30-1   
3-(5-N-(3-trifluoromethylphenyl)amino-1,3,4thiadiazol-2-yl)-5-hydroxymethyl-8-methyl-2H-pyrano2,3-cpyridine-2-one 

[1]Zhuravel',IrinaO.;Kovalenko,SergiyM.;Ivachtchenko,AlexandreV.;Chernykh,ValentinP.;Shinkarenko,PavloE.[JournalofHeterocyclicChemistry,2004,vol.41,#4,p.517-524]

18871-66-4    20069-30-1   
5-methyl-4-(3-trifluoromethyl-phenyl)-2,4-dihydro-1,2,4triazole-3-thione 

[1]DeLaRosa,Martha;Kim,HongWoo;Gunic,Esmir;Jenket,Cheryl;Boyle,Uyen;Koh,Yung-hyo;Korboukh,Ilia;Allan,Matthew;Zhang,Weijian;Chen,Huanming;Xu,Wen;Nilar,Shahul;Yao,Nanhua;Hamatake,Robert;Lang,StanleyA.;Hong,Zhi;Zhang,Zhijun;Girardet,Jean-Luc[BioorganicandMedicinalChemistryLetters,2006,vol.16,#17,p.4444-4449]

Literature
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SDS
Tags:20069-30-1 Molecular Formula|20069-30-1 MDL|20069-30-1 SMILES|20069-30-1 4-[3-(Trifluoromethyl)phenyl]-3-thiosemicarbazide