2-[(3z)-5-bromo-2-oxo-3-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]acetic acid (CHEM295984)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-28 16:51:52 UTC | ||||||||
| Update Date | 2026-08-28 16:51:52 UTC | ||||||||
| Accession Number | CHEM295984 | ||||||||
| Identification | |||||||||
| Common Name | 2-[(3z)-5-bromo-2-oxo-3-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]acetic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C16H13BrN2O4S2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 439.950 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 2-[(3z)-5-bromo-2-oxo-3-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]acetic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(C)N1C(=O)C(=C2C3=C(C=CC(=C3)Br)N(C2=O)CC(=O)O)SC1=S | ||||||||
| InChI Identifier | InChI=1S/C16H13BrN2O4S2/c1-7(2)19-15(23)13(25-16(19)24)12-9-5-8(17)3-4-10(9)18(14(12)22)6-11(20)21/h3-5,7H,6H2,1-2H3,(H,20,21)/b13-12- | ||||||||
| InChI Key | MKHPIXNGKPZUCH-SEYXRHQNSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
| ||||||||
| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
| ||||||||
| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
