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52693-58-0 | 1-methyl-4-(methylthio)pyridin-1-ium iodide
CAS No: 52693-58-0 Catalog No: AG01DI9L MDL No:
Product Description
Catalog Number:
AG01DI9L
Chemical Name:
1-methyl-4-(methylthio)pyridin-1-ium iodide
CAS Number:
52693-58-0
Molecular Formula:
C7H10INS
Molecular Weight:
267.1305
IUPAC Name:
1-methyl-4-methylsulfanylpyridin-1-ium;iodide
InChI:
InChI=1S/C7H10NS.HI/c1-8-5-3-7(9-2)4-6-8;/h3-6H,1-2H3;1H/q+1;/p-1
InChI Key:
ADIQGJYIYSAKOE-UHFFFAOYSA-M
SMILES:
CSc1cc[n+](cc1)C.[I-]
Properties
Complexity:
77
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.958g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.128g/mol
Monoisotopic Mass:
266.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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