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67739-23-5 | 4-Thiazolidinone,5-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-2-thioxo-
CAS No: 67739-23-5 Catalog No: AG006JZS MDL No:
Product Description
Catalog Number:
AG006JZS
Chemical Name:
4-Thiazolidinone,5-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-2-thioxo-
CAS Number:
67739-23-5
Molecular Formula:
C18H23NO2S2
Molecular Weight:
349.5107
IUPAC Name:
5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C18H23NO2S2/c1-17(2,3)11-7-10(8-12(14(11)20)18(4,5)6)9-13-15(21)19-16(22)23-13/h7-9,20H,1-6H3,(H,19,21,22)
InChI Key:
WBDPSYDYYOULLK-UHFFFAOYSA-N
SMILES:
CC(c1cc(C=C2SC(=S)NC2=O)cc(c1O)C(C)(C)C)(C)C
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.117g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
349.507g/mol
Monoisotopic Mass:
349.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.8
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