Rhodanine - CAS 141-84-4
Catalog: |
BB009264 |
Product Name: |
Rhodanine |
CAS: |
141-84-4 |
Synonyms: |
2-sulfanylidene-1,3-thiazolidin-4-one |
IUPAC Name: | 2-sulfanylidene-1,3-thiazolidin-4-one |
Description: | Rhodanine (CAS# 141-84-4) is a useful research chemical compound. |
Molecular Weight: | 133.19 |
Molecular Formula: | C3H3NOS2 |
Canonical SMILES: | C1C(=O)NC(=S)S1 |
InChI: | InChI=1S/C3H3NOS2/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6) |
InChI Key: | KIWUVOGUEXMXSV-UHFFFAOYSA-N |
Boiling Point: | 218.2 °C at 760 mmHg |
Melting Point: | 167-170°C |
Flash Point: | 85.7°C |
Purity: | 99 % |
Density: | 1.59 g/cm3 |
Appearance: | Light yellow crystals. density 0.868 g / cm3. melting point 168.5°c. may explode on rapid heating. |
Storage: | Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
Decomposition: | Dangerous; when heated to decomposition, It emits highly toxic fumes of /nitrogen oxides and sulfur oxides |
MDL: | MFCD00005488 |
LogP: | 0.46310 |
Refractive Index: | 1.711 |
Vapor Pressure: | 0.128mmHg at 25°C |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113461684-A | PPAR-gamma ligand-4, 5-diazafluorene-rhodanine conjugate, preparation method and anti-tumor application thereof | 20210720 |
CN-113413378-A | Application of chlorogenic acid-containing pharmaceutical composition in preparation of medicines for treating early-stage Alzheimer's disease | 20210707 |
CN-113214144-A | Metal organic framework material based on dipole organic ligand, synthetic method and application thereof | 20210514 |
CN-113125430-A | Method for measuring cyanide concentration in antimony-containing gold ore cyanidation leaching process | 20210419 |
CN-113004307-A | Novel double spiro-heterocyclic compound and preparation method thereof | 20210319 |
PMID | Publication Date | Title | Journal |
32761301 | 20200801 | The AKR1B1 inhibitor epalrestat suppresses the progression\xa0of cervical cancer | Molecular biology reports |
32547320 | 20200101 | AKR1B10 Inhibitor Epalrestat Facilitates Sorafenib-Induced Apoptosis and Autophagy Via Targeting the mTOR Pathway in Hepatocellular Carcinoma | International journal of medical sciences |
29976573 | 20180901 | A Specific Probe Substrate for Evaluation of CYP4A11 Activity in Human Tissue Microsomes and a Highly Selective CYP4A11 Inhibitor: Luciferin-4A and Epalrestat | The Journal of pharmacology and experimental therapeutics |
28204799 | 20180601 | Epalrestat Stimulated Oxidative Stress, Inflammation, and Fibrogenesis in Mouse Liver | Toxicological sciences : an official journal of the Society of Toxicology |
29395975 | 20180215 | Design, synthesis, SAR and biological investigation of 3-(carboxymethyl)rhodanine and aminothiazole inhibitors of Mycobacterium tuberculosis Zmp1 | Bioorganic & medicinal chemistry letters |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 132.96560607 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 132.96560607 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 86.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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