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3-(2-bromophenyl)-6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-(2-bromophenyl)-6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Formula: C17H13BrN4S

SMILES: BrC1=CC=CC=C1C1=NN=C2SC(CCC3=CC=CC=C3)=NN12

IUPAC: 3-(2-bromophenyl)-6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

InChI: InChI=1S/C17H13BrN4S/c18-14-9-5-4-8-13(14)16-19-20-17-22(16)21-15(23-17)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2

Composition: C (53.00%), H (3.40%), Br (20.74%), N (14.54%), S (8.32%)

Molar Mass: 385.28

Atom Count: 36

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 384.004431
Formal Charge 0
FSP3 0.12
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey BIWQSGHHPDKFAK-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 128.31
Topological Polar Surface Area 43.08
Polarizability 36.36
Ring Count 4
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H13BrN4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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