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104123-91-3 | 4-Thiazolidinone,3-methyl-2-(phenylimino)-5-(3-phenyl-2-propen-1-ylidene)-
CAS No: 104123-91-3 Catalog No: AG0084WJ MDL No:
Product Description
Catalog Number:
AG0084WJ
Chemical Name:
4-Thiazolidinone,3-methyl-2-(phenylimino)-5-(3-phenyl-2-propen-1-ylidene)-
CAS Number:
104123-91-3
Molecular Formula:
C19H16N2OS
Molecular Weight:
320.4081
IUPAC Name:
5-cinnamylidene-3-methyl-2-phenylimino-1,3-thiazolidin-4-one
InChI:
InChI=1S/C19H16N2OS/c1-21-18(22)17(14-8-11-15-9-4-2-5-10-15)23-19(21)20-16-12-6-3-7-13-16/h2-14H,1H3
InChI Key:
WCDVXXNNUYFUJR-UHFFFAOYSA-N
SMILES:
CN1C(=Nc2ccccc2)SC(=CC=Cc2ccccc2)C1=O
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.098g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.41g/mol
Monoisotopic Mass:
320.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.9
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