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Home > Pyridines > 1219187-15-1
1219187-15-1 | 5-[2-(Allylthio)pyridin-3-yl]-1,3,4-oxadiazol-2(3H)-one
CAS No: 1219187-15-1 Catalog No: AG01F7NX MDL No:
Product Description
Catalog Number:
AG01F7NX
Chemical Name:
5-[2-(Allylthio)pyridin-3-yl]-1,3,4-oxadiazol-2(3H)-one
CAS Number:
1219187-15-1
Molecular Formula:
C10H9N3O2S
Molecular Weight:
235.2624
IUPAC Name:
5-(2-prop-2-enylsulfanylpyridin-3-yl)-3H-1,3,4-oxadiazol-2-one
InChI:
InChI=1S/C10H9N3O2S/c1-2-6-16-9-7(4-3-5-11-9)8-12-13-10(14)15-8/h2-5H,1,6H2,(H,13,14)
InChI Key:
XFGSFQMJOLURSQ-UHFFFAOYSA-N
SMILES:
C=CCSc1ncccc1c1n[nH]c(=O)o1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.261g/mol
Monoisotopic Mass:
235.042g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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