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3-fluoro-N-[5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]benzamide

3-fluoro-N-[5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]benzamide

Formula: C10H9FN4OS

SMILES: CSC1=NC(NC(=O)C2=CC(F)=CC=C2)=NN1

IUPAC: 3-fluoro-N-[5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]benzamide

InChI: InChI=1S/C10H9FN4OS/c1-17-10-13-9(14-15-10)12-8(16)6-3-2-4-7(11)5-6/h2-5H,1H3,(H2,12,13,14,15,16)

Composition: C (47.61%), H (3.60%), F (7.53%), N (22.21%), O (6.34%), S (12.71%)

Molar Mass: 252.27

Atom Count: 26

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 252.048110263
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey FGOXCMBMVAEJRN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.85
Topological Polar Surface Area 70.67
Polarizability 23.54
Ring Count 2
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Kinentia Biosciences LLC
Purity LeadTime Formula PacketSize UnitPrice
97% <14 Days C10H9FN4OS $221.13-$331.70$221.13$331.70
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