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174813-23-1 | 4-Thiazolidinone, 5-(phenylmethylene)-2-thioxo-, (5Z)-
CAS No: 174813-23-1 Catalog No: AG001ZYP MDL No:
Product Description
Catalog Number:
AG001ZYP
Chemical Name:
4-Thiazolidinone, 5-(phenylmethylene)-2-thioxo-, (5Z)-
CAS Number:
174813-23-1
Molecular Formula:
C10H7NOS2
Molecular Weight:
221.2987
IUPAC Name:
(5Z)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C10H7NOS2/c12-9-8(14-10(13)11-9)6-7-4-2-1-3-5-7/h1-6H,(H,11,12,13)/b8-6-
InChI Key:
OONWCXLYKDWKOU-VURMDHGXSA-N
SMILES:
O=C1NC(=S)S/C/1=C\c1ccccc1
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
220.997g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.292g/mol
Monoisotopic Mass:
220.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| 5-benzylidenerhodanine and 5-benzylidene-2-4-thiazolidinedione based antibacterials. | Bioorganic & medicinal chemistry letters 20120415 |
| Privileged scaffolds or promiscuous binders: a comparative study on rhodanines and related heterocycles in medicinal chemistry. | Journal of medicinal chemistry 20120126 |
| New cholesterol esterase inhibitors based on rhodanine and thiazolidinedione scaffolds. | Bioorganic & medicinal chemistry 20111215 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Exploration of inhibitors for diaminopimelate aminotransferase. | Bioorganic & medicinal chemistry 20100315 |
| Selective small molecule inhibitors of the potential breast cancer marker, human arylamine N-acetyltransferase 1, and its murine homologue, mouse arylamine N-acetyltransferase 2. | Bioorganic & medicinal chemistry 20090115 |
| Rhodanine derivatives as novel inhibitors of PDE4. | Bioorganic & medicinal chemistry letters 20080315 |
| Synthesis and antifungal activity of (Z)-5-arylidenerhodanines. | Bioorganic & medicinal chemistry 20070101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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