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88371-71-5 | 4-Thiazolidinone, 5-methyl-3-(2-methylphenyl)-2-thioxo-
CAS No: 88371-71-5 Catalog No: AG004G0S MDL No:
Product Description
Catalog Number:
AG004G0S
Chemical Name:
4-Thiazolidinone, 5-methyl-3-(2-methylphenyl)-2-thioxo-
CAS Number:
88371-71-5
Molecular Formula:
C11H11NOS2
Molecular Weight:
237.3411
IUPAC Name:
5-methyl-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C11H11NOS2/c1-7-5-3-4-6-9(7)12-10(13)8(2)15-11(12)14/h3-6,8H,1-2H3
InChI Key:
PUCHJTOKWBYEMI-UHFFFAOYSA-N
SMILES:
S=C1SC(C(=O)N1c1ccccc1C)C
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.028g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.335g/mol
Monoisotopic Mass:
237.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Barriers to internal rotation around the C-N bond in 3-(o-aryl)-5-methyl-rhodanines using NMR spectroscopy and computational studies. Electron density topological analysis of the transition states. | Organic & biomolecular chemistry 20040907 |
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