Home Other Building Blocks 4-[(Trifluoromethyl)thio]benzamide

4-[(Trifluoromethyl)thio]benzamide

CAS No.:
330-15-4
Catalog Number:
AG003KC7
Molecular Formula:
C8H6F3NOS
Molecular Weight:
221.1995
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$83
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Product Description
Catalog Number:
AG003KC7
Chemical Name:
4-[(Trifluoromethyl)thio]benzamide
CAS Number:
330-15-4
Molecular Formula:
C8H6F3NOS
Molecular Weight:
221.1995
MDL Number:
MFCD02689728
IUPAC Name:
4-(trifluoromethylsulfanyl)benzamide
InChI:
InChI=1S/C8H6F3NOS/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H2,12,13)
InChI Key:
ILYWYSLTZOUSID-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc(cc1)SC(F)(F)F
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.012g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.197g/mol
Monoisotopic Mass:
221.012g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties