Home Other Building Blocks 4-(Trifluoromethoxy)benzenethiol

4-(Trifluoromethoxy)benzenethiol

CAS No.:
169685-29-4
Catalog Number:
AG0033U5
Molecular Formula:
C7H5F3OS
Molecular Weight:
194.1742
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$95
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Product Description
Catalog Number:
AG0033U5
Chemical Name:
4-(Trifluoromethoxy)benzenethiol
CAS Number:
169685-29-4
Molecular Formula:
C7H5F3OS
Molecular Weight:
194.1742
MDL Number:
MFCD00052312
IUPAC Name:
4-(trifluoromethoxy)benzenethiol
InChI:
InChI=1S/C7H5F3OS/c8-7(9,10)11-5-1-3-6(12)4-2-5/h1-4,12H
InChI Key:
JHVNSRJPBXPZJU-UHFFFAOYSA-N
SMILES:
FC(Oc1ccc(cc1)S)(F)F
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.001g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.171g/mol
Monoisotopic Mass:
194.001g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties