2-[2-(3,4-dimethoxyphenyl)-1,3-benzothiazol-6-yl]acetic acid (CHEM302004)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-28 23:50:32 UTC | ||||||||
| Update Date | 2026-08-28 23:50:32 UTC | ||||||||
| Accession Number | CHEM302004 | ||||||||
| Identification | |||||||||
| Common Name | 2-[2-(3,4-dimethoxyphenyl)-1,3-benzothiazol-6-yl]acetic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2-[2-(3,4-dimethoxyphenyl)-1,3-benzothiazol-6-yl]acetic acid belongs to the methoxybenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C17H15NO4S and an average molecular weight of 329.40 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C17H15NO4S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 329.072 g/mol | ||||||||
| CAS Registry Number | 36782-53-3 | ||||||||
| IUPAC Name | 2-[2-(3,4-dimethoxyphenyl)-1,3-benzothiazol-6-yl]acetic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | COC1=C(C=C(C=C1)C2=NC3=C(S2)C=C(C=C3)CC(=O)O)OC | ||||||||
| InChI Identifier | InChI=1S/C17H15NO4S/c1-21-13-6-4-11(9-14(13)22-2)17-18-12-5-3-10(8-16(19)20)7-15(12)23-17/h3-7,9H,8H2,1-2H3,(H,19,20) | ||||||||
| InChI Key | UWXRMZYMTHVJOU-UHFFFAOYSA-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 | ||||||||
