2-[2-[(e)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(4-bromophenyl)-1,3-thiazol-5-yl]acetic acid (CHEM316397)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-29 19:26:31 UTC | ||||||||
| Update Date | 2026-08-29 19:26:31 UTC | ||||||||
| Accession Number | CHEM316397 | ||||||||
| Identification | |||||||||
| Common Name | 2-[2-[(e)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(4-bromophenyl)-1,3-thiazol-5-yl]acetic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2-[2-[(e)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(4-bromophenyl)-1,3-thiazol-5-yl]acetic acid is a compound with the chemical formula C20H14BrNO4S. It has an average molecular weight of 444.30 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C20H14BrNO4S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 442.983 g/mol | ||||||||
| CAS Registry Number | 116759-27-4 | ||||||||
| IUPAC Name | 2-[2-[(e)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(4-bromophenyl)-1,3-thiazol-5-yl]acetic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C1OC2=C(O1)C=C(C=C2)C=CC3=NC(=C(S3)CC(=O)O)C4=CC=C(C=C4)Br | ||||||||
| InChI Identifier | InChI=1S/C20H14BrNO4S/c21-14-5-3-13(4-6-14)20-17(10-19(23)24)27-18(22-20)8-2-12-1-7-15-16(9-12)26-11-25-15/h1-9H,10-11H2,(H,23,24)/b8-2+ | ||||||||
| InChI Key | RMPFRTXUKWXCBY-KRXBUXKQSA-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 | ||||||||
