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Home > Fluorides > 104040-74-6
104040-74-6 | 3-(Trifluoromethyl);pyridine-2-thiol
CAS No: 104040-74-6 Catalog No: AG003IAL MDL No:MFCD00178749
Product Description
Catalog Number:
AG003IAL
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
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
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