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

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

Formula: C11H9IN4S

SMILES: CCC1=NN=C2SC(=NN12)C1=CC=CC=C1I

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

InChI: InChI=1S/C11H9IN4S/c1-2-9-13-14-11-16(9)15-10(17-11)7-5-3-4-6-8(7)12/h3-6H,2H2,1H3

Composition: C (37.09%), H (2.55%), I (35.63%), N (15.73%), S (9.00%)

Molar Mass: 356.19

Atom Count: 26

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 355.95926
Formal Charge 0
FSP3 0.18
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey KQQMBCMYVJXLNB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 109.36
Topological Polar Surface Area 43.08
Polarizability 29.31
Ring Count 3
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C11H9IN4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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