Home Fluorides 130783-02-7
130783-02-7,MFCD00042273
Catalog No.:AA003IH6
130783-02-7 | 3,5-Bis(trifluoromethyl)benzenethiol
Pack Size
Purity
Availability
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1g
95+%
1 week  
$93.00   $65.00
- +
5g
95+%
1 week  
$183.00   $128.00
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10g
95+%
1 week  
$236.00   $165.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IH6
Chemical Name:
3,5-Bis(trifluoromethyl)benzenethiol
CAS Number:
130783-02-7
Molecular Formula:
C8H4F6S
Molecular Weight:
246.1728
MDL Number:
MFCD00042273
IUPAC Name:
3,5-bis(trifluoromethyl)benzenethiol
InChI:
InChI=1S/C8H4F6S/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3,15H
InChI Key:
KCAQWPZIMLLEAF-UHFFFAOYSA-N
SMILES:
Sc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Properties
Computed Properties
 
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.994g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.17g/mol
Monoisotopic Mass:
245.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  

Synonyms
 
3,5-Bis(trifluoromethyl)benzenethiol 
3,5-Bis(trifluoromethyl)thiophenol 
C8H4F6S 
SCHEMBL440730 
CTK0I1281 
DTXSID20333802 
ZINC2584298 
ZX-AP003481 
3608AD 
ANW-19228 
BBL103117 
PC3086 
130783-02-7 
SBB100096 
STL556927 
3,5-bis(trifluoromethyl)-benzenethiol 
AKOS005254445 
3,5-bis(trifluoromethyl)thiophenol95% 
MCULE-8926853724 
PS-7523 
QC-7374 
RP28737 
RTR-004203 
3,5-bis(trifluoromethyl)benzene-1-thiol 
VZ25666 
3,5-Bis(trifluoromethyl)benzenethiol # 
3,5-bis(trifluoromethyl)thiophenol 95% 
3,5-bis(trifluoromethyl)thiophenol,98% 
Benzenethiol, 3,5-bis(trifluoromethyl)- 
AC-14119 
AN-32276 
CC-13394 
3,5-bis(trifluoromethyl)benzenethiol 97% 
3,5-Bis(trifluoromethyl)benzenethiol, 97% 
KCAQWPZIMLLEAF-UHFFFAOYSA-N 
DB-041986 
TL8006794 
TR-004203 
A2731 
B2391 
FT-0643140 
ST50827662 
KS-00001779 
K-4066 
C-14986 
MFCD00042273 
J-511236 
CID518690 
3,5-Bis(trifluoromethyl)benzenethiol, 95% - 1G 1g 
AK305676 
AC1LAQYZ 
PubChem15275 
ACMC-209bji 
Literature

Title: Reduction of Staphylococcus aureus and Pseudomonas aeruginosa colonisation on PVC through covalent surface attachment of fluorinated thiols.

Journal: The Journal of pharmacy and pharmacology 20090901

Title: 3,5-bis(trifluoromethyl)phenyl sulfones in the direct Julia-Kocienski olefination.

Journal: The Journal of organic chemistry 20050805

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