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2- (N-propylthio) nicotinamide

CAT: 0013-GTR19252286-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19252286-01Size:100 mg
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Description
2- (N-propylthio) nicotinamide
CAS Number
175135-26-9
Field of Research
Pharmacology & Drug Discovery
Smiles
CCCSc1ncccc1C (N) =O
Molecular Formula
C9H12N2OS
Molecular Weight
196.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(Propylthio)nicotinamide
CAS Number175135-26-9
PubChem CID2774535
IUPAC Name2-propylsulfanylpyridine-3-carboxamide
Molecular FormulaC9H12N2OS
Molecular Weight196.27
XLogP2.4
Topological Polar Surface Area81.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity175
SMILES
CCCSC1=C(C=CC=N1)C(=O)N
InChI
InChI=1S/C9H12N2OS/c1-2-6-13-9-7(8(10)12)4-3-5-11-9/h3-5H,2,6H2,1H3,(H2,10,12)
InChIKey
JIYBJKGFAMWNDO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Propylthio)nicotinamide
CAS: 175135-26-9
CID: 2774535
Formula: C9H12N2OS
MW: 196.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.27
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass196.06703418
Monoisotopic Mass196.06703418
Topological Polar Surface Area81.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity175
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

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sc-2653162- (propylthio) nicotinamide
C6736-200Nicotinamide N-oxide
MBS576693Nicotinamide-N-oxide
AP85746Nicotinamide N-methyltransferase
sc-478214Nicotinamide-N-15N
AR-N01434-01N-Methyl Nicotinamide
HY-116993-01N- (Hydroxymethyl) nicotinamide
TRC-H948100-25GN-(Hydroxymethyl)nicotinamide
AR-N08583-01N-Vinyl Nicotinamide
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