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Home > Pyridines > 828255-60-3
828255-60-3 | Pyridine, 1,2,3,6-tetrahydro-1-methyl-5-(1,2,5-thiadiazol-3-yl)-, 1-oxide
CAS No: 828255-60-3 Catalog No: AG004T3B MDL No:
Product Description
Catalog Number:
AG004T3B
Chemical Name:
Pyridine, 1,2,3,6-tetrahydro-1-methyl-5-(1,2,5-thiadiazol-3-yl)-, 1-oxide
CAS Number:
828255-60-3
Molecular Formula:
C8H11N3OS
Molecular Weight:
197.2574
IUPAC Name:
3-(1-methyl-1-oxido-3,6-dihydro-2H-pyridin-1-ium-5-yl)-1,2,5-thiadiazole
InChI:
InChI=1S/C8H11N3OS/c1-11(12)4-2-3-7(6-11)8-5-9-13-10-8/h3,5H,2,4,6H2,1H3
InChI Key:
MAVATWQKASRVNP-UHFFFAOYSA-N
SMILES:
[O-][N+]1(C)CC(=CCC1)c1cnsn1
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.062g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.256g/mol
Monoisotopic Mass:
197.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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