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673452-00-1 | 4-Thiazolidinone, 3-(5-methyl-3-isoxazolyl)-2-[(4-methylphenyl)imino]-
CAS No: 673452-00-1 Catalog No: AG006IEH MDL No:
Product Description
Catalog Number:
AG006IEH
Chemical Name:
4-Thiazolidinone, 3-(5-methyl-3-isoxazolyl)-2-[(4-methylphenyl)imino]-
CAS Number:
673452-00-1
Molecular Formula:
C14H13N3O2S
Molecular Weight:
287.3369
IUPAC Name:
3-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
InChI:
InChI=1S/C14H13N3O2S/c1-9-3-5-11(6-4-9)15-14-17(13(18)8-20-14)12-7-10(2)19-16-12/h3-7H,8H2,1-2H3
InChI Key:
NQDCIKKVMYIAEM-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)N=C1SCC(=O)N1c1noc(c1)C
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.073g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.337g/mol
Monoisotopic Mass:
287.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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