Home Fluorides 886496-67-9
886496-67-9,MFCD04973326
Catalog No.:AA0048VG

886496-67-9 | 2-(Trifluoromethyl)benzothioamide

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Purity
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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
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0048VG
Chemical Name:
2-(Trifluoromethyl)benzothioamide
CAS Number:
886496-67-9
Molecular Formula:
C8H6F3NS
Molecular Weight:
205.2001
MDL Number:
MFCD04973326
SMILES:
NC(=S)c1ccccc1C(F)(F)F
Properties
Properties
 
Form:
Solid  
MP:
75-77℃  

Computed Properties
 
Complexity:
202  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
1.3  

Downstream Synthesis Route

[1]JournalofAgriculturalandFoodChemistry,2019,vol.67,p.10018-10031

[2]JournalofMedicinalChemistry,2007,vol.50,p.685-695

[3]JournaloftheAmericanChemicalSociety,2015,vol.137,p.5670-5673

[1]EuropeanJournalofMedicinalChemistry,2016,vol.113,p.246-257

Literature
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SDS
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Tags:886496-67-9 Molecular Formula|886496-67-9 MDL|886496-67-9 SMILES|886496-67-9 2-(Trifluoromethyl)benzothioamide