Home Fluorides 220239-66-7
220239-66-7,MFCD01320799
Catalog No.:AA003I7S
220239-66-7 | 3-(Trifluoromethoxy)thiophenol
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Price(USD)
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1g
95%
in stock  
$129.00   $90.00
- +
5g
95%
in stock  
$543.00   $380.00
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003I7S
Chemical Name:
3-(Trifluoromethoxy)thiophenol
CAS Number:
220239-66-7
Molecular Formula:
C7H5F3OS
Molecular Weight:
194.1742
MDL Number:
MFCD01320799
IUPAC Name:
3-(trifluoromethoxy)benzenethiol
InChI:
InChI=1S/C7H5F3OS/c8-7(9,10)11-5-2-1-3-6(12)4-5/h1-4,12H
InChI Key:
GEJGGOYNWFQKKH-UHFFFAOYSA-N
SMILES:
Sc1cccc(c1)OC(F)(F)F
Properties
Computed 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  

Synonyms
 
3-(Trifluoromethoxy)thiophenol 
3-(trifluoromethoxy)benzenethiol 
CTK4E8313 
3-(trifluoromethoxy)benzene thiol 
DTXSID00380490 
3-(trifluoromethyloxy)benzenethiol 
GEJGGOYNWFQKKH-UHFFFAOYSA-N 
Benzenethiol,3-(trifluoromethoxy)- 
KS-00003R8H 
ZINC2379401 
7513AD 
SBB091709 
220239-66-7 
AKOS006227993 
MCULE-9703643758 
PS-8294 
RTR-010355 
VZ26142 
3-Thio-alpha,alpha,alpha-trifluoroanisole 
3-(Trifluoromethoxy)thiophenol, AldrichCPR 
DB-008249 
TR-010355 
CS-0081159 
3-(trifluoromethoxy)benzene-1-thiol 
FT-0644023 
ST50825360 
K-6250 
A815845 
I09-2786 
C7H5F3OS 
CID2777357 
Benzenethiol, 3-(trifluoromethoxy)- 
MFCD01320799 
AC1MCRNK 
ACMC-1CEJB 
3-trifluoromethoxythiophenol 
SCHEMBL159683 
Literature
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