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6- (Trifluoromethyl) thionicotinamide

CAT: 0127-PC4545Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-PC4545Size:250 mg
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CAS Number
386715-34-0
Synonyms
6- (Trifluoromethyl) pyridine-3-carbothioamide, 6- (Trifluoromethyl) pyridine-3-thiocarboxamide
MDL Number
MFCD02173905
Purity
95%
Smiles
NC(=S)c1ccc(nc1)C(F)(F)F

Chemical Information

6-(Trifluoromethyl)thionicotinamide
CAS Number386715-34-0
PubChem CID2777886
IUPAC Name6-(trifluoromethyl)pyridine-3-carbothioamide
Molecular FormulaC7H5F3N2S
Molecular Weight206.19
XLogP1.2
Topological Polar Surface Area71
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity204
SMILES
C1=CC(=NC=C1C(=S)N)C(F)(F)F
InChI
InChI=1S/C7H5F3N2S/c8-7(9,10)5-2-1-4(3-12-5)6(11)13/h1-3H,(H2,11,13)
InChIKey
PDBGSSVKKHIEBN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(Trifluoromethyl)thionicotinamide
CAS: 386715-34-0
CID: 2777886
Formula: C7H5F3N2S
MW: 206.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight206.19
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass206.01255383
Monoisotopic Mass206.01255383
Topological Polar Surface Area71 Ų
Heavy Atom Count13
Formal Charge0
Complexity204
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-3257216- (Trifluoromethyl) thionicotinamide
FT36203-01Thionicotinamide
T11385Thionicotinamide 98%
NT71492-01Thionicotinamide adenine dinucleotide
sc-394300Thionicotinamide adenine dinucleotidephosphate potassium salt
MBS170415Thionicotinamide-Adenine Dinucleotide Phosphate (Thio-NADP), Oxidized
39416-01Thionicotinamide Adenine Dinucleotide (Thio-NAD) extrapure, 90%
MBS682172Thionicotinamide-Adenine Dinucleotide Phosphate, Oxidized form, monopotassium salt.
GTR19281314β-Thionicotinamide Adenine Dinucleotide oxidized form free acid (β-Thio-NAD)
35020-01Thionicotinamide Adenine Dinucleotide Disodium Salt Reduced (Thio-NADH) extrapure, 93%

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