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63149-06-4 | 4-(phenylthio)-1-(4-sulphonatobutyl)pyridinium
CAS No: 63149-06-4 Catalog No: AG00F5T5 MDL No:
Product Description
Catalog Number:
AG00F5T5
Chemical Name:
4-(phenylthio)-1-(4-sulphonatobutyl)pyridinium
CAS Number:
63149-06-4
IUPAC Name:
4-(4-phenylsulfanylpyridin-1-ium-1-yl)butane-1-sulfonate
InChI:
InChI=1S/C15H17NO3S2/c17-21(18,19)13-5-4-10-16-11-8-15(9-12-16)20-14-6-2-1-3-7-14/h1-3,6-9,11-12H,4-5,10,13H2
InChI Key:
QZNKYTVDANPFQE-UHFFFAOYSA-N
EC Number:
263-954-9
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.065g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.425g/mol
Monoisotopic Mass:
323.065g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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