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TGN-020

CAT: 0607-B8903-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B8903-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
51987-99-6
Product Name Alternative
N-(1,3,4-thiadiazol-2-yl)nicotinamide
Purity
0.997
Solubility
≥12.07 mg/mL in DMSO; insoluble in EtOH; insoluble in H2O
Smiles
O=C(C1=CC=CN=C1)NC2=NN=CS2
Molecular Formula
C8H6N4OS
Molecular Weight
206.22
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CAS Number51987-99-6
PubChem CID4173511
IUPAC NameN-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
Molecular FormulaC8H6N4OS
Molecular Weight206.23
XLogP0.5
Topological Polar Surface Area96
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity214
SMILES
C1=CC(=CN=C1)C(=O)NC2=NN=CS2
InChI
InChI=1S/C8H6N4OS/c13-7(6-2-1-3-9-4-6)11-8-12-10-5-14-8/h1-5H,(H,11,12,13)
InChIKey
AGEGZHOPKZFKBP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CAS: 51987-99-6
CID: 4173511
Formula: C8H6N4OS
MW: 206.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight206.23
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass206.02623200
Monoisotopic Mass206.02623200
Topological Polar Surface Area96 Ų
Heavy Atom Count14
Formal Charge0
Complexity214
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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