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

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

Formula: C19H18N4O2S2

SMILES: CCOC1=CC=C(C=C1OC)C1=NN2C(CSC3=CC=CC=C3)=NN=C2S1

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

InChI: InChI=1S/C19H18N4O2S2/c1-3-25-15-10-9-13(11-16(15)24-2)18-22-23-17(20-21-19(23)27-18)12-26-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3

Composition: C (57.27%), H (4.55%), N (14.06%), O (8.03%), S (16.09%)

Molar Mass: 398.5

Atom Count: 45

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 398.087118184
Formal Charge 0
FSP3 0.21
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey PHHOZCDOWSTRMK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 141.45
Topological Polar Surface Area 61.54
Polarizability 41.87
Ring Count 4
Rotatable Bond Count 7

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H18N4O2S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H18N4O2S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote