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Home Other Building Blocks 5-(trifluoromethyl)pyridine-2-thiol

5-(trifluoromethyl)pyridine-2-thiol

CAS No.:
76041-72-0
Catalog Number:
AG003HI3
Molecular Formula:
C6H4F3NS
Molecular Weight:
179.1629
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$19
- +
5g
97%
In Stock USA
United States
$45
- +
25g
97%
In Stock USA
United States
$150
- +
100g
97%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG003HI3
Chemical Name:
5-(trifluoromethyl)pyridine-2-thiol
CAS Number:
76041-72-0
Molecular Formula:
C6H4F3NS
Molecular Weight:
179.1629
MDL Number:
MFCD00128893
IUPAC Name:
5-(trifluoromethyl)-1H-pyridine-2-thione
InChI:
InChI=1S/C6H4F3NS/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)
InChI Key:
YFSCXLSUZZXNHW-UHFFFAOYSA-N
SMILES:
S=c1ccc(c[nH]1)C(F)(F)F
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:
1.2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties