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23522-48-7 | 4-Thiazolidinone, 3-(2-chlorophenyl)-5-methyl-2-thioxo-
CAS No: 23522-48-7 Catalog No: AG002NL5 MDL No:
Product Description
Catalog Number:
AG002NL5
Chemical Name:
4-Thiazolidinone, 3-(2-chlorophenyl)-5-methyl-2-thioxo-
CAS Number:
23522-48-7
Molecular Formula:
C10H8ClNOS2
Molecular Weight:
257.7596
IUPAC Name:
3-(2-chlorophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C10H8ClNOS2/c1-6-9(13)12(10(14)15-6)8-5-3-2-4-7(8)11/h2-6H,1H3
InChI Key:
LGUPLRAIWPKAKF-UHFFFAOYSA-N
SMILES:
S=C1SC(C(=O)N1c1ccccc1Cl)C
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.974g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.75g/mol
Monoisotopic Mass:
256.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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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