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89174-37-8 | Pyridinium, 2-(methylthio)-4,6-diphenyl-1-propyl-, iodide
CAS No: 89174-37-8 Catalog No: AG00638M MDL No:
Product Description
Catalog Number:
AG00638M
Chemical Name:
Pyridinium, 2-(methylthio)-4,6-diphenyl-1-propyl-, iodide
CAS Number:
89174-37-8
Molecular Formula:
C21H22INS
Molecular Weight:
447.3756
IUPAC Name:
2-methylsulfanyl-4,6-diphenyl-1-propylpyridin-1-ium;iodide
InChI:
InChI=1S/C21H22NS.HI/c1-3-14-22-20(18-12-8-5-9-13-18)15-19(16-21(22)23-2)17-10-6-4-7-11-17;/h4-13,15-16H,3,14H2,1-2H3;1H/q+1;/p-1
InChI Key:
IMQRFGZCVJPCCX-UHFFFAOYSA-M
SMILES:
CCC[n+]1c(SC)cc(cc1c1ccccc1)c1ccccc1.[I-]
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.052g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
447.378g/mol
Monoisotopic Mass:
447.052g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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