4-Oxo-2-thioxo-3-thiazolidinylacetic acid - CAS 5718-83-2
Catalog:
BB029602
Product Name:
4-Oxo-2-thioxo-3-thiazolidinylacetic acid
CAS:
5718-83-2
Synonyms:
Rhodanine-3-acetic acid; Rhodanine-N-acetic acid; 3-Thiazolidineacetic acid, 4-oxo-2-thioxo-; 3-Rhodanineacetic acid; N-(Carboxymethyl)rhodanine
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BB029602
1 kg
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IUPAC Name: 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Description: 4-Oxo-2-thioxo-3-thiazolidinylacetic acid is an inhibitor for copper corrosion in acidic media.
Molecular Weight: 191.23
Molecular Formula: C5H5NO3S2
Canonical SMILES: C1C(=O)N(C(=S)S1)CC(=O)O
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
Boiling Point: 375.4±44.0 °C (Predicted)
Melting Point: 145-148 °C (lit.)
Purity: 98%
Density: 1.72 g/cm3
Solubility: >28.7 [ug/mL] (The mean of the results at pH 7.4)
Appearance: Off-White to Pale Beige Solid
MDL: MFCD00005491
LogP: -0.13080
GHS Hazard Statement: H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement: P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word: Warning
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PMID Publication Date Title Journal
29395975 20180215 Design, synthesis, SAR and biological investigation of 3-(carboxymethyl)rhodanine and aminothiazole inhibitors of Mycobacterium tuberculosis Zmp1 Bioorganic & medicinal chemistry letters
22360501 20120420 Phenothiazinyl rhodanylidene merocyanines for dye-sensitized solar cells The Journal of organic chemistry
22325950 20120301 Novel imidazo[2,1-b][1,3,4]thiadiazole carrying rhodanine-3-acetic acid as potential antitubercular agents Bioorganic & medicinal chemistry letters
21710529 20110803 Application of poly(3-hexylthiophene) functionalized with an anchoring group in dye-sensitized solar cells Macromolecular rapid communications
21231968 20110301 Functional and genomic analyses of blocked protein O-mannosylation in baker's yeast Molecular microbiology
Complexity: 228
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 190.97108537
Formal Charge: 0
Heavy Atom Count: 11
Hydrogen Bond Acceptor Count: 5
Hydrogen Bond Donor Count: 1
Isotope Atom Count: 0
Monoisotopic Mass: 190.97108537
Rotatable Bond Count: 2
Topological Polar Surface Area: 115 Å2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 0.4
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Related Functional Groups
Carbonyl Compounds
Thiazolines/Thiazolidines
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