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

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

Formula: C15H11N5S

SMILES: C(C1=NN=C2SC(=NN12)C1=CC=NC=C1)C1=CC=CC=C1

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

InChI: InChI=1S/C15H11N5S/c1-2-4-11(5-3-1)10-13-17-18-15-20(13)19-14(21-15)12-6-8-16-9-7-12/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 WTSQTCFACOPZNI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 113.93
Topological Polar Surface Area 55.97
Polarizability 30.96
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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