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2-{6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}pyridine

2-{6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}pyridine

Formula: C15H11N5S

SMILES: C(C1=NN2C(S1)=NN=C2C1=CC=CC=N1)C1=CC=CC=C1

IUPAC: 2-{6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}pyridine

InChI: InChI=1S/C15H11N5S/c1-2-6-11(7-3-1)10-13-19-20-14(17-18-15(20)21-13)12-8-4-5-9-16-12/h1-9H,10H2

Composition: C (61.42%), H (3.78%), N (23.87%), S (10.93%)

Molar Mass: 293.35

Atom Count: 32

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 293.073516548
Formal Charge 0
FSP3 0.07
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey OMQGNNNOIHKGPP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 113.56
Topological Polar Surface Area 55.97
Polarizability 30.97
Ring Count 4
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C15H11N5S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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