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6-(4-chlorophenoxymethyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(4-chlorophenoxymethyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Formula: C16H11ClN4OS

SMILES: ClC1=CC=C(OCC2=NN3C(S2)=NN=C3C2=CC=CC=C2)C=C1

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

InChI: InChI=1S/C16H11ClN4OS/c17-12-6-8-13(9-7-12)22-10-14-20-21-15(18-19-16(21)23-14)11-4-2-1-3-5-11/h1-9H,10H2

Composition: C (56.06%), H (3.23%), Cl (10.34%), N (16.34%), O (4.67%), S (9.35%)

Molar Mass: 342.8

Atom Count: 34

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 342.0342099
Formal Charge 0
FSP3 0.06
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey DMWFHXDYHXSYLG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 122.13
Topological Polar Surface Area 52.31
Polarizability 34.5
Ring Count 4
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H11ClN4OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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