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253447-22-2

253447-22-2 | 4-Thiazolidinone, 3-phenyl-5-(phenylmethylene)-2-thioxo-, (5Z)-

CAS No: 253447-22-2 Catalog No: AG007NNR MDL No:

Product Description

Catalog Number:
AG007NNR
Chemical Name:
4-Thiazolidinone, 3-phenyl-5-(phenylmethylene)-2-thioxo-, (5Z)-
CAS Number:
253447-22-2
Molecular Formula:
C16H11NOS2
Molecular Weight:
297.3946
IUPAC Name:
5-benzylidene-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C16H11NOS2/c18-15-14(11-12-7-3-1-4-8-12)20-16(19)17(15)13-9-5-2-6-10-13/h1-11H
InChI Key:
TZPSGDWUSVAMNF-UHFFFAOYSA-N
SMILES:
S=C1S/C(=C\c2ccccc2)/C(=O)N1c1ccccc1

Properties

Complexity:
420  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.028g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.39g/mol
Monoisotopic Mass:
297.028g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
4.5  

Literature

Title Journal
(5Z)-5-(2-Hydroxy-benzyl-idene)-3-phenyl-2-thioxo-1,3-thia-zolidin-4-one. Acta crystallographica. Section E, Structure reports online 20091101
(5Z)-5-(2-Methyl-benzyl-idene)-3-phenyl-2-thioxo-1,3-thia-zolidin-4-one. Acta crystallographica. Section E, Structure reports online 20091101

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