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Home > Fluorides > 132844-85-0
132844-85-0 | 4-(4-Fluoro-phenyl)-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol
CAS No: 132844-85-0 Catalog No: AG01F6EY MDL No:
Product Description
Catalog Number:
AG01F6EY
Chemical Name:
4-(4-Fluoro-phenyl)-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol
CAS Number:
132844-85-0
Molecular Formula:
C13H9FN4S
Molecular Weight:
272.3008
IUPAC Name:
4-(4-fluorophenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C13H9FN4S/c14-10-3-5-11(6-4-10)18-12(16-17-13(18)19)9-2-1-7-15-8-9/h1-8H,(H,17,19)
InChI Key:
JWYMLIAPRDNZOO-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)n1c(S)nnc1c1cccnc1
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.053g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.301g/mol
Monoisotopic Mass:
272.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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