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6-(3-fluorophenyl)-3-[(phenylsulfanyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(3-fluorophenyl)-3-[(phenylsulfanyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Formula: C16H11FN4S2

SMILES: FC1=CC=CC(=C1)C1=NN2C(CSC3=CC=CC=C3)=NN=C2S1

IUPAC: 6-(3-fluorophenyl)-3-[(phenylsulfanyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

InChI: InChI=1S/C16H11FN4S2/c17-12-6-4-5-11(9-12)15-20-21-14(18-19-16(21)23-15)10-22-13-7-2-1-3-8-13/h1-9H,10H2

Composition: C (56.12%), H (3.24%), F (5.55%), N (16.36%), S (18.73%)

Molar Mass: 342.41

Atom Count: 34

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 342.040916881
Formal Charge 0
FSP3 0.06
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey GRMLUZHGRQIDKK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 123.99
Topological Polar Surface Area 43.08
Polarizability 34.66
Ring Count 4
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H11FN4S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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