Home Nitriles 4-sulfanyl-2-(trifluoromethyl)benzonitrile

4-sulfanyl-2-(trifluoromethyl)benzonitrile

CAS No.:
110888-22-7
Catalog Number:
AG01A4NK
Molecular Formula:
C8H4F3NS
Molecular Weight:
203.1843
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Product Description
Catalog Number:
AG01A4NK
Chemical Name:
4-sulfanyl-2-(trifluoromethyl)benzonitrile
CAS Number:
110888-22-7
Molecular Formula:
C8H4F3NS
Molecular Weight:
203.1843
MDL Number:
MFCD11178413
IUPAC Name:
4-sulfanyl-2-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H4F3NS/c9-8(10,11)7-3-6(13)2-1-5(7)4-12/h1-3,13H
InChI Key:
IWZHVFBVXGOFHM-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1C(F)(F)F)S
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.002g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
203.182g/mol
Monoisotopic Mass:
203.002g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties