Home Nitriles 2-(4-((Trifluoromethyl)thio)phenyl)acetonitrile

2-(4-((Trifluoromethyl)thio)phenyl)acetonitrile

CAS No.:
70124-90-2
Catalog Number:
AG00FAAD
Molecular Formula:
C9H6F3NS
Molecular Weight:
217.2108
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$102
- +
5g
98%
1 week
United States
$228
- +
Product Description
Catalog Number:
AG00FAAD
Chemical Name:
2-(4-((Trifluoromethyl)thio)phenyl)acetonitrile
CAS Number:
70124-90-2
Molecular Formula:
C9H6F3NS
Molecular Weight:
217.2108
MDL Number:
MFCD00236354
IUPAC Name:
2-[4-(trifluoromethylsulfanyl)phenyl]acetonitrile
InChI:
InChI=1S/C9H6F3NS/c10-9(11,12)14-8-3-1-7(2-4-8)5-6-13/h1-4H,5H2
InChI Key:
HZIDFDPCOAUCGK-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)SC(F)(F)F
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.017g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.209g/mol
Monoisotopic Mass:
217.017g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties