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

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

Formula: C11H9BrN4S

SMILES: CCC1=NN=C2SC(=NN12)C1=CC=CC(Br)=C1

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

InChI: InChI=1S/C11H9BrN4S/c1-2-9-13-14-11-16(9)15-10(17-11)7-4-3-5-8(12)6-7/h3-6H,2H2,1H3

Composition: C (42.73%), H (2.93%), Br (25.84%), N (18.12%), S (10.37%)

Molar Mass: 309.19

Atom Count: 26

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 307.97313
Formal Charge 0
FSP3 0.18
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey YJNQLIHUKSITIQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 103.62
Topological Polar Surface Area 43.08
Polarizability 26.95
Ring Count 3
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C11H9BrN4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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