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948016-52-2 | 5-((3,4-Dimethoxyphenyl)methylene)-2-thioxo-1,3-thiazolidin-4-one
CAS No: 948016-52-2 Catalog No: AG00IIJY MDL No:
Product Description
Catalog Number:
AG00IIJY
Chemical Name:
5-((3,4-Dimethoxyphenyl)methylene)-2-thioxo-1,3-thiazolidin-4-one
CAS Number:
948016-52-2
IUPAC Name:
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C12H11NO3S2/c1-15-8-4-3-7(5-9(8)16-2)6-10-11(14)13-12(17)18-10/h3-6H,1-2H3,(H,13,14,17)/b10-6-
InChI Key:
XVAIHVYMCLRIOV-POHAHGRESA-N
NSC Number:
31101
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
281.018g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.344g/mol
Monoisotopic Mass:
281.018g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Privileged scaffolds or promiscuous binders: a comparative study on rhodanines and related heterocycles in medicinal chemistry. | Journal of medicinal chemistry 20120126 |
| Rhodanine derivatives as novel inhibitors of PDE4. | Bioorganic & medicinal chemistry letters 20080315 |
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