Home Nitriles 3-Amino-3-((4-aminophenyl)thio)-2-(2-(trifluoromethyl)phenyl)acrylonitrile

3-Amino-3-((4-aminophenyl)thio)-2-(2-(trifluoromethyl)phenyl)acrylonitrile

CAS No.:
305350-87-2
Catalog Number:
AG0030G1
Molecular Formula:
C16H12F3N3S
Molecular Weight:
335.3468
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95% (mixture of <em>cis</em>/<em>trans</em> isomers)
1 week
United States
$119
- +
5mg
98%
1 week
United States
$140
- +
10mg
98%
1 week
United States
$207
- +
25mg
≥95% (mixture of <em>cis</em>/<em>trans</em> isomers)
1 week
United States
$369
- +
50mg
98%
1 week
United States
$557
- +
Product Description
Catalog Number:
AG0030G1
Chemical Name:
3-Amino-3-((4-aminophenyl)thio)-2-(2-(trifluoromethyl)phenyl)acrylonitrile
CAS Number:
305350-87-2
Molecular Formula:
C16H12F3N3S
Molecular Weight:
335.3468
MDL Number:
MFCD06411432
IUPAC Name:
(Z)-3-amino-3-(4-aminophenyl)sulfanyl-2-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
InChI:
InChI=1S/C16H12F3N3S/c17-16(18,19)14-4-2-1-3-12(14)13(9-20)15(22)23-11-7-5-10(21)6-8-11/h1-8H,21-22H2/b15-13+
InChI Key:
JLOXTZFYJNCPIS-FYWRMAATSA-N
SMILES:
N#CC(=C(Sc1ccc(cc1)N)N)c1ccccc1C(F)(F)F
Properties
Complexity:
487  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
335.07g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
335.348g/mol
Monoisotopic Mass:
335.07g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
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Properties