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

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

Formula: C16H11BrN4OS

SMILES: COC1=CC=C(C=C1)C1=NN=C2SC(=NN12)C1=CC=CC=C1Br

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

InChI: InChI=1S/C16H11BrN4OS/c1-22-11-8-6-10(7-9-11)14-18-19-16-21(14)20-15(23-16)12-4-2-3-5-13(12)17/h2-9H,1H3

Composition: C (49.63%), H (2.86%), Br (20.63%), N (14.47%), O (4.13%), S (8.28%)

Molar Mass: 387.26

Atom Count: 34

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 385.983695
Formal Charge 0
FSP3 0.06
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey QJSFJWMABAEYNP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 136.11
Topological Polar Surface Area 52.31
Polarizability 36.05
Ring Count 4
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H11BrN4OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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