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Home > Pyridines > 115948-43-1
115948-43-1 | Pyridinium, 1-(4,5-dihydro-5-thioxo-1,3,4-oxadiazol-2-yl)-
CAS No: 115948-43-1 Catalog No: AG000H5Q MDL No:
Product Description
Catalog Number:
AG000H5Q
Chemical Name:
Pyridinium, 1-(4,5-dihydro-5-thioxo-1,3,4-oxadiazol-2-yl)-
CAS Number:
115948-43-1
Molecular Formula:
C7H6N3OS+
Molecular Weight:
180.2070
IUPAC Name:
5-pyridin-1-ium-1-yl-3H-1,3,4-oxadiazole-2-thione
InChI:
InChI=1S/C7H5N3OS/c12-7-9-8-6(11-7)10-4-2-1-3-5-10/h1-5H/p+1
InChI Key:
KJRIKQCWJVICBA-UHFFFAOYSA-O
SMILES:
S=c1[nH]nc(o1)[n+]1ccccc1
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.023g/mol
Formal Charge:
1
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.205g/mol
Monoisotopic Mass:
180.023g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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