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

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

Formula: C17H14N4S2

SMILES: C(SC1=CC=CC=C1)C1=NN=C2SC(CC3=CC=CC=C3)=NN12

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

InChI: InChI=1S/C17H14N4S2/c1-3-7-13(8-4-1)11-16-20-21-15(18-19-17(21)23-16)12-22-14-9-5-2-6-10-14/h1-10H,11-12H2

Composition: C (60.33%), H (4.17%), N (16.55%), S (18.95%)

Molar Mass: 338.45

Atom Count: 37

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 338.065988815
Formal Charge 0
FSP3 0.12
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey KCBNFTPQLRKFQR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 117.83
Topological Polar Surface Area 43.08
Polarizability 36.06
Ring Count 4
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H14N4S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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