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106500-64-5 | 2,1-Benzisoxazole, 5,5'-thiobis[3-phenyl-
CAS No: 106500-64-5 Catalog No: AG007CIG MDL No:
Product Description
Catalog Number:
AG007CIG
Chemical Name:
2,1-Benzisoxazole, 5,5'-thiobis[3-phenyl-
CAS Number:
106500-64-5
Molecular Formula:
C26H16N2O2S
Molecular Weight:
420.4824
IUPAC Name:
3-phenyl-5-[(3-phenyl-2,1-benzoxazol-5-yl)sulfanyl]-2,1-benzoxazole
InChI:
InChI=1S/C26H16N2O2S/c1-3-7-17(8-4-1)25-21-15-19(11-13-23(21)27-29-25)31-20-12-14-24-22(16-20)26(30-28-24)18-9-5-2-6-10-18/h1-16H
InChI Key:
LKUZMRMJARTKEG-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1onc2c1cc(cc2)Sc1ccc2c(c1)c(on2)c1ccccc1
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.093g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
420.486g/mol
Monoisotopic Mass:
420.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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