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89822-99-1 | Pyridinium, 1-[(dodecylthio)methyl]-3,4-dimethyl-, chloride
CAS No: 89822-99-1 Catalog No: AG003XU6 MDL No:
Product Description
Catalog Number:
AG003XU6
Chemical Name:
Pyridinium, 1-[(dodecylthio)methyl]-3,4-dimethyl-, chloride
CAS Number:
89822-99-1
Molecular Formula:
C20H36ClNS
Molecular Weight:
358.0245
IUPAC Name:
1-(dodecylsulfanylmethyl)-3,4-dimethylpyridin-1-ium;chloride
InChI:
InChI=1S/C20H36NS.ClH/c1-4-5-6-7-8-9-10-11-12-13-16-22-18-21-15-14-19(2)20(3)17-21;/h14-15,17H,4-13,16,18H2,1-3H3;1H/q+1;/p-1
InChI Key:
XOIBGTXOBPKKBC-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCSC[n+]1ccc(c(c1)C)C.[Cl-]
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.226g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.025g/mol
Monoisotopic Mass:
357.226g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
29.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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