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80030-91-7 | 2,4-Thiazolidinedione, 3-(phenylmethyl)-5-(phenylmethylene)-
CAS No: 80030-91-7 Catalog No: AG0055GT MDL No:
Product Description
Catalog Number:
AG0055GT
Chemical Name:
2,4-Thiazolidinedione, 3-(phenylmethyl)-5-(phenylmethylene)-
CAS Number:
80030-91-7
Molecular Formula:
C17H13NO2S
Molecular Weight:
295.3556
IUPAC Name:
3-benzyl-5-benzylidene-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C17H13NO2S/c19-16-15(11-13-7-3-1-4-8-13)21-17(20)18(16)12-14-9-5-2-6-10-14/h1-11H,12H2
InChI Key:
XSROJBUXQRZBNF-UHFFFAOYSA-N
SMILES:
O=C1SC(=Cc2ccccc2)C(=O)N1Cc1ccccc1
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.067g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.356g/mol
Monoisotopic Mass:
295.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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