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81167-68-2

81167-68-2 | Pyridine, 2-[[(2,5-dimethylphenyl)methyl]sulfinyl]-4-methyl-, 1-oxide

CAS No: 81167-68-2 Catalog No: AG0055C1 MDL No:

Product Description

Catalog Number:
AG0055C1
Chemical Name:
Pyridine, 2-[[(2,5-dimethylphenyl)methyl]sulfinyl]-4-methyl-, 1-oxide
CAS Number:
81167-68-2
Molecular Formula:
C15H17NO2S
Molecular Weight:
275.3660
IUPAC Name:
2-[(2,5-dimethylphenyl)methylsulfinyl]-4-methyl-1-oxidopyridin-1-ium
InChI:
InChI=1S/C15H17NO2S/c1-11-4-5-13(3)14(8-11)10-19(18)15-9-12(2)6-7-16(15)17/h4-9H,10H2,1-3H3
InChI Key:
BOIVEWPMFMXMDW-UHFFFAOYSA-N
SMILES:
Cc1cc[n+](c(c1)S(=O)Cc1cc(C)ccc1C)[O-]

Properties

Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.098g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.366g/mol
Monoisotopic Mass:
275.098g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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