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: |
2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid |
IUPAC Name: | 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid |
Description: | 4-Oxo-2-thioxo-3-thiazolidinylacetic acid (CAS# 5718-83-2) 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 ℃ at 760 mmHg |
Purity: | 98 % |
Density: | 1.72 g/cm3 |
Solubility: | >28.7 [ug/mL] (The mean of the results at pH 7.4) |
Appearance: | Pale yellow fine crystaline powder |
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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