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6-(4-tert-butylphenyl)-3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(4-tert-butylphenyl)-3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Formula: C15H18N4S

SMILES: CCC1=NN=C2SC(=NN12)C1=CC=C(C=C1)C(C)(C)C

IUPAC: 6-(4-tert-butylphenyl)-3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

InChI: InChI=1S/C15H18N4S/c1-5-12-16-17-14-19(12)18-13(20-14)10-6-8-11(9-7-10)15(2,3)4/h6-9H,5H2,1-4H3

Composition: C (62.91%), H (6.34%), N (19.56%), S (11.19%)

Molar Mass: 286.4

Atom Count: 38

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 286.12521777
Formal Charge 0
FSP3 0.4
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey LSSOFGIYQJMADJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 114.66
Topological Polar Surface Area 43.08
Polarizability 31.39
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C15H18N4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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