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

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

Formula: C14H9ClN4O2S

SMILES: ClC1=CC=C(OCC2=NN3C(S2)=NN=C3C2=CC=CO2)C=C1

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

InChI: InChI=1S/C14H9ClN4O2S/c15-9-3-5-10(6-4-9)21-8-12-18-19-13(11-2-1-7-20-11)16-17-14(19)22-12/h1-7H,8H2

Composition: C (50.53%), H (2.73%), Cl (10.65%), N (16.84%), O (9.62%), S (9.63%)

Molar Mass: 332.76

Atom Count: 31

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 332.0134744
Formal Charge 0
FSP3 0.07
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey JKFXMNRWGIUBNX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 114.53
Topological Polar Surface Area 65.45
Polarizability 31.46
Ring Count 4
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C14H9ClN4O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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