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75853-85-9 | 2-(METHYLSULFINYL)PYRIDINE 1-OXIDE
CAS No: 75853-85-9 Catalog No: AG005I37 MDL No:
Product Description
Catalog Number:
AG005I37
Chemical Name:
2-(METHYLSULFINYL)PYRIDINE 1-OXIDE
CAS Number:
75853-85-9
Molecular Formula:
C6H7NO2S
Molecular Weight:
157.1903
IUPAC Name:
2-methylsulfinyl-1-oxidopyridin-1-ium
InChI:
InChI=1S/C6H7NO2S/c1-10(9)6-4-2-3-5-7(6)8/h2-5H,1H3
InChI Key:
OPELUKGFPXWHAW-UHFFFAOYSA-N
SMILES:
CS(=O)c1cccc[n+]1[O-]
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.02g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.187g/mol
Monoisotopic Mass:
157.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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