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750607-42-2 | 2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CAS No: 750607-42-2 Catalog No: AG019JL2 MDL No:MFCD06655039
Product Description
Catalog Number:
AG019JL2
Chemical Name:
2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CAS Number:
750607-42-2
Molecular Formula:
C15H17NO2S
Molecular Weight:
275.3660
MDL Number:
MFCD06655039
IUPAC Name:
2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
InChI:
InChI=1S/C15H17NO2S/c1-15(2,3)11-6-4-10(5-7-11)12(17)8-14-16-13(18)9-19-14/h4-8H,9H2,1-3H3,(H,16,18)
InChI Key:
UHLNJOPKVUCCER-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(C)(C)C)C=C1SCC(=O)N1
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.098g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.366g/mol
Monoisotopic Mass:
275.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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