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5-methyl-3-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,2-oxazole

5-methyl-3-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,2-oxazole

Formula: C8H4F3N5OS

SMILES: CC1=CC(=NO1)C1=NN2C(S1)=NN=C2C(F)(F)F

IUPAC: 5-methyl-3-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,2-oxazole

InChI: InChI=1S/C8H4F3N5OS/c1-3-2-4(15-17-3)5-14-16-6(8(9,10)11)12-13-7(16)18-5/h2H,1H3

Composition: C (34.91%), H (1.47%), F (20.71%), N (25.45%), O (5.81%), S (11.65%)

Molar Mass: 275.21

Atom Count: 22

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 275.008865432
Formal Charge 0
FSP3 0.25
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey OKKHJEXXTKBQRQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 88.6
Topological Polar Surface Area 69.11
Polarizability 19.94
Ring Count 3
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C8H4F3N5OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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