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338753-40-5 | 3-(4-methylphenyl)-4-oxo-5-(4-toluidinomethylene)-1,3-thiazolan-1-ium-1-olate
CAS No: 338753-40-5 Catalog No: AG01FOMG MDL No:
Product Description
Catalog Number:
AG01FOMG
Chemical Name:
3-(4-methylphenyl)-4-oxo-5-(4-toluidinomethylene)-1,3-thiazolan-1-ium-1-olate
CAS Number:
338753-40-5
IUPAC Name:
5-[(4-methylanilino)methylidene]-3-(4-methylphenyl)-1-oxo-1,3-thiazolidin-4-one
InChI:
InChI=1S/C18H18N2O2S/c1-13-3-7-15(8-4-13)19-11-17-18(21)20(12-23(17)22)16-9-5-14(2)6-10-16/h3-11,19H,12H2,1-2H3
InChI Key:
SHTNTTRSQCTSPD-UHFFFAOYSA-N
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.109g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.414g/mol
Monoisotopic Mass:
326.109g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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