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107889-31-6

107889-31-6 | 4-Thiazolidinone,5-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-3-methyl-

CAS No: 107889-31-6 Catalog No: AG007VJX MDL No:

Product Description

Catalog Number:
AG007VJX
Chemical Name:
4-Thiazolidinone,5-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-3-methyl-
CAS Number:
107889-31-6
Molecular Formula:
C19H27NO2S
Molecular Weight:
333.4882
IUPAC Name:
(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
InChI:
InChI=1S/C19H27NO2S/c1-18(2,3)13-8-12(9-14(16(13)21)19(4,5)6)10-15-17(22)20(7)11-23-15/h8-10,21H,11H2,1-7H3/b15-10-
InChI Key:
IXCMEASJCGKKQS-GDNBJRDFSA-N
SMILES:
O=C1N(C)CSC1=Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

Properties

Complexity:
463  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
333.176g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
333.49g/mol
Monoisotopic Mass:
333.176g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4  

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