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47283-91-0 | Thiazolium, 2,3,5-triphenyl-
CAS No: 47283-91-0 Catalog No: AG0071JG MDL No:
Product Description
Catalog Number:
AG0071JG
Chemical Name:
Thiazolium, 2,3,5-triphenyl-
CAS Number:
47283-91-0
Molecular Formula:
C21H16NS+
Molecular Weight:
314.4234
IUPAC Name:
2,3,5-triphenyl-1,3-thiazol-3-ium
InChI:
InChI=1S/C21H16NS/c1-4-10-17(11-5-1)20-16-22(19-14-8-3-9-15-19)21(23-20)18-12-6-2-7-13-18/h1-16H/q+1
InChI Key:
ILLLMRBZLPYBIN-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1c[n+](c(s1)c1ccccc1)c1ccccc1
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.1g/mol
Formal Charge:
1
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.426g/mol
Monoisotopic Mass:
314.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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