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6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Formula: C10H8N4S

SMILES: C(C1=NN2C=NN=C2S1)C1=CC=CC=C1

IUPAC: 6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

InChI: InChI=1S/C10H8N4S/c1-2-4-8(5-3-1)6-9-13-14-7-11-12-10(14)15-9/h1-5,7H,6H2

Composition: C (55.54%), H (3.73%), N (25.91%), S (14.82%)

Molar Mass: 216.26

Atom Count: 23

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 216.046967448
Formal Charge 0
FSP3 0.1
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey VAECXRMHAOPEKW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.99
Topological Polar Surface Area 43.08
Polarizability 21.6
Ring Count 3
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C10H8N4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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