Home Fluorides 104040-74-6
104040-74-6,MFCD00178749
Catalog No.:AA003I7T
104040-74-6 | 3-(Trifluoromethyl)pyridine-2-thiol
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Technical Information
Catalog Number:
AA003I7T
Chemical Name:
3-(Trifluoromethyl)pyridine-2-thiol
CAS Number:
104040-74-6
Molecular Formula:
C6H4F3NS
Molecular Weight:
179.1629
MDL Number:
MFCD00178749
IUPAC Name:
3-(trifluoromethyl)-1H-pyridine-2-thione
InChI:
InChI=1S/C6H4F3NS/c7-6(8,9)4-2-1-3-10-5(4)11/h1-3H,(H,10,11)
InChI Key:
ACGSRAAAQJSWLC-UHFFFAOYSA-N
SMILES:
Sc1ncccc1C(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
 
104040-74-6 
3-(trifluoromethyl)pyridine-2-thiol 
AC1MC0M0 
SCHEMBL2037302 
CTK4A2644 
DTXSID10374820 
ZLD0100 
3-trifluoromethyl-pyridine-2-thiol 
ACT06028 
ZINC2556067 
3-trifluoromethyl-2-mercaptopyridine 
BBL100902 
2-Mercapto-3-(trifluoromethyl)pyridine 
SBB055537 
STL554696 
AKOS000151184 
3-(Trifluoromethyl)-2-mercaptopyridine 
DA-0609 
MCULE-4251262775 
RP03144 
VP10993 
AN-34091 
3-(Trifluoromethyl)pyridine-2-thiol, 97% 
3-(trifluoromethyl)-2-pyridinethiol 
AB0002350 
DB-040505 
TC-069059 
FT-0642551 
ST50949986 
Y6888 
KS-00002497 
Y-8805 
461M942 
A800882 
3-(trifluoromethyl)-1H-pyridine-2-thione 
2-mercapto-3-(trifluoromethyl)pyridine, AldrichCPR 
S02-0127 
W-204520 
C6H4F3NS 
CID2759526 
N/A 
16461-94-2 
3-(Trifluoromethyl)pyridine-2(1H)-thione 
2(1H)-Pyridinethione,3-(trifluoromethyl)- 
MFCD00178749 
zlchem 650 
ACMC-20dmmw 
Literature
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