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803-67-8 | (2z)-5-benzylidene-3-phenyl-2-(phenylimino)-1,3-thiazolidin-4-one
CAS No: 803-67-8 Catalog No: AG005B9U MDL No:
Product Description
Catalog Number:
AG005B9U
Chemical Name:
(2z)-5-benzylidene-3-phenyl-2-(phenylimino)-1,3-thiazolidin-4-one
CAS Number:
803-67-8
Molecular Formula:
C22H16N2OS
Molecular Weight:
356.4402
IUPAC Name:
5-benzylidene-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
InChI:
InChI=1S/C22H16N2OS/c25-21-20(16-17-10-4-1-5-11-17)26-22(23-18-12-6-2-7-13-18)24(21)19-14-8-3-9-15-19/h1-16H
InChI Key:
NUURGOCMONEDNX-UHFFFAOYSA-N
SMILES:
O=C1C(=Cc2ccccc2)S/C(=N\c2ccccc2)/N1c1ccccc1
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.098g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.443g/mol
Monoisotopic Mass:
356.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.8
Literature
| Title | Journal |
|---|---|
| 5-Benzyl-idene-3-phenyl-2-phenyl-imino-1,3-thia-zolidin-4-one. | Acta crystallographica. Section E, Structure reports online 20110701 |
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