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

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

Formula: C16H11BrN4S

SMILES: CC1=CC=CC=C1C1=NN=C2SC(=NN12)C1=CC=CC=C1Br

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

InChI: InChI=1S/C16H11BrN4S/c1-10-6-2-3-7-11(10)14-18-19-16-21(14)20-15(22-16)12-8-4-5-9-13(12)17/h2-9H,1H3

Composition: C (51.76%), H (2.99%), Br (21.52%), N (15.09%), S (8.64%)

Molar Mass: 371.26

Atom Count: 33

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 369.988781
Formal Charge 0
FSP3 0.06
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey ZFXMKPQGTLHSCW-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 134.69
Topological Polar Surface Area 43.08
Polarizability 35.26
Ring Count 4
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H11BrN4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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