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143810-13-3 | 5-Thiazolidinone, 3-(2-methylphenyl)-2-[(2-methylphenyl)imino]-
CAS No: 143810-13-3 Catalog No: AG001IET MDL No:
Product Description
Catalog Number:
AG001IET
Chemical Name:
5-Thiazolidinone, 3-(2-methylphenyl)-2-[(2-methylphenyl)imino]-
CAS Number:
143810-13-3
Molecular Formula:
C17H16N2OS
Molecular Weight:
296.3867
IUPAC Name:
3-(2-methylphenyl)-2-(2-methylphenyl)imino-1,3-thiazolidin-5-one
InChI:
InChI=1S/C17H16N2OS/c1-12-7-3-5-9-14(12)18-17-19(11-16(20)21-17)15-10-6-4-8-13(15)2/h3-10H,11H2,1-2H3
InChI Key:
PFDIIUUEVCJBIT-UHFFFAOYSA-N
SMILES:
O=C1SC(=Nc2ccccc2C)N(C1)c1ccccc1C
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.098g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.388g/mol
Monoisotopic Mass:
296.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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