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90158-95-5 | Pyridinium, 1-methyl-4-[2-[(4-methylphenyl)thio]ethyl]-, iodide
CAS No: 90158-95-5 Catalog No: AG00H6IL MDL No:
Product Description
Catalog Number:
AG00H6IL
Chemical Name:
Pyridinium, 1-methyl-4-[2-[(4-methylphenyl)thio]ethyl]-, iodide
CAS Number:
90158-95-5
Molecular Formula:
C15H18INS
Molecular Weight:
371.2796
IUPAC Name:
1-methyl-4-[2-(4-methylphenyl)sulfanylethyl]pyridin-1-ium;iodide
InChI:
InChI=1S/C15H18NS.HI/c1-13-3-5-15(6-4-13)17-12-9-14-7-10-16(2)11-8-14;/h3-8,10-11H,9,12H2,1-2H3;1H/q+1;/p-1
InChI Key:
ZZZLESYBXKKXIN-UHFFFAOYSA-M
SMILES:
Cc1ccc(cc1)SCCc1cc[n+](cc1)C.[I-]
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.02g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.28g/mol
Monoisotopic Mass:
371.02g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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