Home Other Building Blocks 4-Amino-2-cyano-3'-(trifluoromethyl)diphenyl thioether

4-Amino-2-cyano-3'-(trifluoromethyl)diphenyl thioether

CAS No.:
320421-51-0
Catalog Number:
AG00BYR7
Molecular Formula:
C14H9F3N2S
Molecular Weight:
294.2949
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
1 week
United States
$135
- +
250mg
1 week
United States
$232
- +
Product Description
Catalog Number:
AG00BYR7
Chemical Name:
4-Amino-2-cyano-3'-(trifluoromethyl)diphenyl thioether
CAS Number:
320421-51-0
Molecular Formula:
C14H9F3N2S
Molecular Weight:
294.2949
MDL Number:
MFCD00793554
IUPAC Name:
5-amino-2-[3-(trifluoromethyl)phenyl]sulfanylbenzonitrile
InChI:
InChI=1S/C14H9F3N2S/c15-14(16,17)10-2-1-3-12(7-10)20-13-5-4-11(19)6-9(13)8-18/h1-7H,19H2
InChI Key:
UIXJHGHFWHSBEZ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(N)ccc1Sc1cccc(c1)C(F)(F)F
Properties
Complexity:
376  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.044g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
294.295g/mol
Monoisotopic Mass:
294.044g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties