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Home > Pyridines > 182194-98-5
182194-98-5 | Pyridine, 2-[(1-phenyl-4-penten-1-yl)thio]-, 1-oxide
CAS No: 182194-98-5 Catalog No: AG0023GB MDL No:
Product Description
Catalog Number:
AG0023GB
Chemical Name:
Pyridine, 2-[(1-phenyl-4-penten-1-yl)thio]-, 1-oxide
CAS Number:
182194-98-5
Molecular Formula:
C16H17NOS
Molecular Weight:
271.3773
IUPAC Name:
1-oxido-2-(1-phenylpent-4-enylsulfanyl)pyridin-1-ium
InChI:
InChI=1S/C16H17NOS/c1-2-3-11-15(14-9-5-4-6-10-14)19-16-12-7-8-13-17(16)18/h2,4-10,12-13,15H,1,3,11H2
InChI Key:
MWHVSYZSEOSFSN-UHFFFAOYSA-N
SMILES:
C=CCCC(c1ccccc1)Sc1cccc[n+]1[O-]
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.103g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.378g/mol
Monoisotopic Mass:
271.103g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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