Methyl 5-(tert-butyl)-3-[(2-pyridylthio)methyl]thiophene-2-carboxylate (CHEM061756)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-03 05:13:59 UTC | ||||||||
| Update Date | 2026-04-03 05:13:59 UTC | ||||||||
| Accession Number | CHEM061756 | ||||||||
| Identification | |||||||||
| Common Name | Methyl 5-(tert-butyl)-3-[(2-pyridylthio)methyl]thiophene-2-carboxylate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Methyl 5-(tert-butyl)-3-[(2-pyridylthio)methyl]thiophene-2-carboxylate belongs to the thiophene carboxylic acids and derivatives, a subclass of thiophenes within the organic compounds. This organoheterocyclic compound has the chemical formula C16H19N1O2S2. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C16H19N1O2S2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 321.086 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | methyl 5-tert-butyl-3-(pyridin-2-ylsulfanylmethyl)thiophene-2-carboxylate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C16H19NO2S2/c1-16(2,3)12-9-11(14(21-12)15(18)19-4)10-20-13-7-5-6-8-17-13/h5-9H,10H2,1-4H3 | ||||||||
| InChI Key | MZSPMOPUMUZHQZ-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Description | belongs to the class of organic compounds known as thiophene carboxylic acids and derivatives. Thiophene carboxylic acids and derivatives are compounds containing a thiophene ring which bears a carboxylic acid group (or a salt/ester thereof). | ||||||||
| Kingdom | Organic compounds | ||||||||
| Super Class | Organoheterocyclic compounds | ||||||||
| Class | Thiophenes | ||||||||
| Sub Class | Thiophene carboxylic acids and derivatives | ||||||||
| Direct Parent | Thiophene carboxylic acids and derivatives | ||||||||
| Alternative Parents |
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| Substituents |
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| Molecular Framework | Aromatic heteromonocyclic compounds | ||||||||
| External Descriptors | Not Available | ||||||||
| 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 | Not Available | ||||||||
| 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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| External Links | |||||||||
| DrugBank ID | Not Available | ||||||||
| HMDB ID | Not Available | ||||||||
| FooDB ID | Not Available | ||||||||
| Phenol Explorer ID | Not Available | ||||||||
| KNApSAcK ID | Not Available | ||||||||
| BiGG ID | Not Available | ||||||||
| BioCyc ID | Not Available | ||||||||
| METLIN ID | Not Available | ||||||||
| PDB ID | Not Available | ||||||||
| Wikipedia Link | Not Available | ||||||||
| Chemspider ID | Not Available | ||||||||
| ChEBI ID | Not Available | ||||||||
| PubChem Compound ID | 2739080 | ||||||||
| Kegg Compound ID | Not Available | ||||||||
| YMDB ID | Not Available | ||||||||
| ECMDB ID | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
