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Home Fluorides 1736-70-5
1736-70-5,MFCD00041171
Catalog No.:AA001YZE

1736-70-5 | 3-(Trifluoromethyl)phenylthiourea

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$21.00   $15.00
- +
5g
98%
in stock  
$51.00   $36.00
- +
25g
98%
in stock  
$62.00   $43.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001YZE
Chemical Name:
3-(Trifluoromethyl)phenylthiourea
CAS Number:
1736-70-5
Molecular Formula:
C8H7F3N2S
Molecular Weight:
220.2148
MDL Number:
MFCD00041171
SMILES:
NC(=S)Nc1cccc(c1)C(F)(F)F
NSC Number:
527802
Properties
Properties
 
BP:
264.6 °C at 760 mmHg  
Form:
Solid  
MP:
104-108 °C(lit.)  
Storage:
Room Temperature;Keep in dry area;  

Computed Properties
 
Complexity:
217  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
2.9  

Downstream Synthesis Route
1736-70-5    72677-37-3   
C22H18F3N3OS 

[1]JournalofFluorineChemistry,1989,vol.44,p.59-72

1736-70-5    124929-37-9   
C22H17F4N3OS 

[1]JournalofFluorineChemistry,1989,vol.44,p.59-72

1736-70-5    124929-33-5   
2',4'a,5',6',7',8'-hexahydro-2'-thioxo-4-trifluoromethyl-3'-(3-trifluoromethylphenyl)-spiro<3H-indole-3,4'(3'H)-quinazolin>-2(1H)-one 

[1]JournalofFluorineChemistry,1989,vol.44,p.59-72

1736-70-5    124929-32-4   
C23H20F3N3OS 

[1]JournalofFluorineChemistry,1989,vol.44,p.59-72

1736-70-5   
1,3-dihydro-3-(2-oxocyclopentylidene)-indol-2-one 
 
C21H16F3N3OS 

[1]JournalofFluorineChemistry,1989,vol.44,p.59-72

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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