Home Fluorides 121307-80-0
121307-80-0,MFCD09864680
Catalog No.:AA0076YF
121307-80-0 | 6-(Trifluoromethyl)pyridine-2-thiol
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250mg
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1g
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5g
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  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA0076YF
Chemical Name:
6-(Trifluoromethyl)pyridine-2-thiol
CAS Number:
121307-80-0
Molecular Formula:
C6H4F3NS
Molecular Weight:
179.1629
MDL Number:
MFCD09864680
IUPAC Name:
6-(trifluoromethyl)-1H-pyridine-2-thione
InChI:
InChI=1S/C6H4F3NS/c7-6(8,9)4-2-1-3-5(11)10-4/h1-3H,(H,10,11)
InChI Key:
VIBIZDLLHPQBRV-UHFFFAOYSA-N
SMILES:
Sc1cccc(n1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.002g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.16g/mol
Monoisotopic Mass:
179.002g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Synonyms
 
6-(trifluoromethyl)pyridine-2-thiol 
121307-80-0 
DTXSID60650489 
VIBIZDLLHPQBRV-UHFFFAOYSA-N 
AM706 
6-trifluoromethyl-pyridine-2-thiol 
MFCD09864680 
SBB055555 
ZINC16159542 
AKOS011050966 
AB53855 
MCULE-1049010182 
2-Mercapto-6-(trifluoromethyl)pyridine 
VP10994 
PS-11727 
6-(Trifluoromethyl)pyridine-2(1H)-thione 
FT-0678188 
ST50949990 
Y-8628 
A804712 
I02-5125 
(3S)-1-methyl-3-Pyrrolidinamine hydrochloride 
852874-61-4 
2(1H)-Pyridinethione, 6-(trifluoromethyl)- 
6-(trifluoromethyl)-1H-pyridine-2-thione 
2-Sulphanyl-6-(trifluoromethyl)pyridine 
ACMC-20ewbf 
SCHEMBL1770029 
CTK0H0347 
CTK8A8306 
Literature
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