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105769-26-4

105769-26-4 | 4-Thiazolidinone, 5-[(4-phenoxyphenyl)methylene]-2-thioxo-

CAS No: 105769-26-4 Catalog No: AG007F1N MDL No:

Product Description

Catalog Number:
AG007F1N
Chemical Name:
4-Thiazolidinone, 5-[(4-phenoxyphenyl)methylene]-2-thioxo-
CAS Number:
105769-26-4
Molecular Formula:
C16H11NO2S2
Molecular Weight:
313.3940
IUPAC Name:
5-[(4-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C16H11NO2S2/c18-15-14(21-16(20)17-15)10-11-6-8-13(9-7-11)19-12-4-2-1-3-5-12/h1-10H,(H,17,18,20)
InChI Key:
DNXCXYIPCYQEBG-UHFFFAOYSA-N
SMILES:
S=C1SC(=Cc2ccc(cc2)Oc2ccccc2)C(=O)N1

Properties

Complexity:
436  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.023g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
313.389g/mol
Monoisotopic Mass:
313.023g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
95.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
4.3  

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