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5718-83-2 | Rhodanine-3-acetic acid
CAS No: 5718-83-2 Catalog No: AG0038MR MDL No:MFCD00005491
Product Description
Catalog Number:
AG0038MR
Chemical Name:
Rhodanine-3-acetic acid
CAS Number:
5718-83-2
Molecular Formula:
C5H5NO3S2
Molecular Weight:
191.2281
MDL Number:
MFCD00005491
IUPAC Name:
2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
InChI:
InChI=1S/C5H5NO3S2/c7-3-2-11-5(10)6(3)1-4(8)9/h1-2H2,(H,8,9)
InChI Key:
JGRMXPSUZIYDRR-UHFFFAOYSA-N
SMILES:
OC(=O)CN1C(=S)SCC1=O
EC Number:
227-220-1
NSC Number:
40450
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.971g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.219g/mol
Monoisotopic Mass:
190.971g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Synthesis of new chalcone derivatives containing a rhodanine-3-acetic acid moiety with potential anti-bacterial activity. | European journal of medicinal chemistry 20101201 |
| 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 |
| SAR and 3D-QSAR studies on thiadiazolidinone derivatives: exploration of structural requirements for glycogen synthase kinase 3 inhibitors. | Journal of medicinal chemistry 20051117 |
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