2-[2-[(e)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid (CHEM321652)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-30 03:43:23 UTC | ||||||||
| Update Date | 2026-08-30 03:43:23 UTC | ||||||||
| Accession Number | CHEM321652 | ||||||||
| Identification | |||||||||
| Common Name | 2-[2-[(e)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2-[2-[(e)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid is a compound with the chemical formula C21H17NO4S. It has an average molecular weight of 379.40 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C21H17NO4S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 379.088 g/mol | ||||||||
| CAS Registry Number | 116759-28-5 | ||||||||
| IUPAC Name | 2-[2-[(e)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=CC=C(C=C1)C2=C(SC(=N2)C=CC3=CC4=C(C=C3)OCO4)CC(=O)O | ||||||||
| InChI Identifier | InChI=1S/C21H17NO4S/c1-13-2-6-15(7-3-13)21-18(11-20(23)24)27-19(22-21)9-5-14-4-8-16-17(10-14)26-12-25-16/h2-10H,11-12H2,1H3,(H,23,24)/b9-5+ | ||||||||
| InChI Key | CTEXTBZLVSNQAM-WEVVVXLNSA-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 |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| 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 | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
