Home Other Building Blocks Benzenethiol, 2-(trifluoromethoxy)-

Benzenethiol, 2-(trifluoromethoxy)-

CAS No.:
175278-01-0
Catalog Number:
AG0020TU
Molecular Formula:
C7H5F3OS
Molecular Weight:
194.1742
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Product Description
Catalog Number:
AG0020TU
Chemical Name:
Benzenethiol, 2-(trifluoromethoxy)-
CAS Number:
175278-01-0
Molecular Formula:
C7H5F3OS
Molecular Weight:
194.1742
MDL Number:
MFCD00052320
IUPAC Name:
2-(trifluoromethoxy)benzenethiol
InChI:
InChI=1S/C7H5F3OS/c8-7(9,10)11-5-3-1-2-4-6(5)12/h1-4,12H
InChI Key:
CIIRSPLZNQRPGX-UHFFFAOYSA-N
SMILES:
Sc1ccccc1OC(F)(F)F
Properties
Complexity:
148  
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