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Thioisonicotinamide

CAT: 0931-T1365-01Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T1365-01Size:1 mL - 10 mM (in DMSO)
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2196-13-6
Target
Others, Antibiotic
Related Pathways
Microbiology/Virology, Others
Purity
0.9948
Bioactivity
Thioisonicotinamide (Isothionicotinamide) is a chemical based on the nicotinamide structure, but in which the amide is in the 4-position and not the 3-position.
Smiles
NC(=S)C1=CC=NC=C1
Molecular Formula
C6H6N2S
Molecular Weight
138.19
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-Pyridinecarbothioamide
CAS Number2196-13-6
PubChem CID2723788
IUPAC Namepyridine-4-carbothioamide
Molecular FormulaC6H6N2S
Molecular Weight138.19
XLogP0.3
Topological Polar Surface Area71
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity108
SMILES
C1=CN=CC=C1C(=S)N
InChI
InChI=1S/C6H6N2S/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9)
InChIKey
KPIIGXWUNXGGCP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Pyridinecarbothioamide
CAS: 2196-13-6
CID: 2723788
Formula: C6H6N2S
MW: 138.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight138.19
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass138.02516937
Monoisotopic Mass138.02516937
Topological Polar Surface Area71 Ų
Heavy Atom Count9
Formal Charge0
Complexity108
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

Alternative Products

CatalogName
BUP17646Thioisonicotinamide
T11175-01Thioisonicotinamide 96%
RFC05280-012,6-Diethyl-4-thioisonicotinamide

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