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6-(3,4-dimethylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(3,4-dimethylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Formula: C12H9F3N4S

SMILES: CC1=CC=C(C=C1C)C1=NN2C(S1)=NN=C2C(F)(F)F

IUPAC: 6-(3,4-dimethylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

InChI: InChI=1S/C12H9F3N4S/c1-6-3-4-8(5-7(6)2)9-18-19-10(12(13,14)15)16-17-11(19)20-9/h3-5H,1-2H3

Composition: C (48.32%), H (3.04%), F (19.11%), N (18.78%), S (10.75%)

Molar Mass: 298.29

Atom Count: 29

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 298.050001969
Formal Charge 0
FSP3 0.25
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey KRSTXEMTTBMRSR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 102.46
Topological Polar Surface Area 43.08
Polarizability 25.26
Ring Count 3
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C12H9F3N4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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