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116197-05-8 | 2H-Thiopyranium, 4-(diphenylmethoxy)tetrahydro-1-methyl-, iodide (9CI)
CAS No: 116197-05-8 Catalog No: AG000BVU MDL No:
Product Description
Catalog Number:
AG000BVU
Chemical Name:
2H-Thiopyranium, 4-(diphenylmethoxy)tetrahydro-1-methyl-, iodide (9CI)
CAS Number:
116197-05-8
Molecular Formula:
C19H23IOS
Molecular Weight:
426.3548
IUPAC Name:
4-benzhydryloxy-1-methylthian-1-ium;iodide
InChI:
InChI=1S/C19H23OS.HI/c1-21-14-12-18(13-15-21)20-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18-19H,12-15H2,1H3;1H/q+1;/p-1
InChI Key:
SFOLQZNRGSQAAR-UHFFFAOYSA-M
SMILES:
C[S+]1CCC(CC1)OC(c1ccccc1)c1ccccc1.[I-]
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.051g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
426.356g/mol
Monoisotopic Mass:
426.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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