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400751-63-5,MFCD03001303
Catalog No.:AA00CASE

400751-63-5 | 3-Amino-4-{[3-(trifluoromethyl)phenyl]sulfanyl} benzenecarbonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
in stock  
$258.00   $180.00
- +
250mg
in stock  
$500.00   $350.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00CASE
Chemical Name:
3-Amino-4-{[3-(trifluoromethyl)phenyl]sulfanyl} benzenecarbonitrile
CAS Number:
400751-63-5
Molecular Formula:
C14H9F3N2S
Molecular Weight:
294.2949
MDL Number:
MFCD03001303
SMILES:
N#Cc1ccc(c(c1)N)Sc1cccc(c1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
376  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.9  

Literature
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SDS
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Tags:400751-63-5 Molecular Formula|400751-63-5 MDL|400751-63-5 SMILES|400751-63-5 3-Amino-4-{[3-(trifluoromethyl)phenyl]sulfanyl} benzenecarbonitrile
Catalog No.: AA00CASE
400751-63-5,MFCD03001303
400751-63-5 | 3-Amino-4-{[3-(trifluoromethyl)phenyl]sulfanyl} benzenecarbonitrile
Pack Size： 100mg
Purity：
in stock
$258.00 $180.00
Pack Size： 250mg
Purity：
in stock
$500.00 $350.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00CASE
Chemical Name: 3-Amino-4-{[3-(trifluoromethyl)phenyl]sulfanyl} benzenecarbonitrile
CAS Number: 400751-63-5
Molecular Formula: C14H9F3N2S
Molecular Weight: 294.2949
MDL Number: MFCD03001303
SMILES: N#Cc1ccc(c(c1)N)Sc1cccc(c1)C(F)(F)F
Properties
Complexity: 376  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 20  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.9  
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