Home Nitriles 3-Amino-4-{[3-(trifluoromethyl)phenyl]sulfanyl} benzenecarbonitrile

3-Amino-4-{[3-(trifluoromethyl)phenyl]sulfanyl} benzenecarbonitrile

CAS No.:
400751-63-5
Catalog Number:
AG00CAV6
Molecular Formula:
C14H9F3N2S
Molecular Weight:
294.2949
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
1 week
United States
$274
- +
1g
1 week
United States
$625
- +
Product Description
Catalog Number:
AG00CAV6
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
IUPAC Name:
3-amino-4-[3-(trifluoromethyl)phenyl]sulfanylbenzonitrile
InChI:
InChI=1S/C14H9F3N2S/c15-14(16,17)10-2-1-3-11(7-10)20-13-5-4-9(8-18)6-12(13)19/h1-7H,19H2
InChI Key:
OOBUSBNDDQZYRZ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)N)Sc1cccc(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