2,5-Dibromo-3-methylthiophene (CHEM064685)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-03 13:28:28 UTC | ||||||||
| Update Date | 2026-08-22 22:21:17 UTC | ||||||||
| Accession Number | CHEM064685 | ||||||||
| Identification | |||||||||
| Common Name | 2,5-Dibromo-3-methylthiophene | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2,5-Dibromo-3-methylthiophene belongs to the 2,3,5-trisubstituted thiophenes, a subclass of thiophenes within the organic compounds. It is classified as an organoheterocyclic compound with the formula C5H4Br2S1. The compound has an average molecular weight of 255.96 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C5H4Br2S1 | ||||||||
| Average Molecular Mass | 255.960 g/mol | ||||||||
| Monoisotopic Mass | 253.840 g/mol | ||||||||
| CAS Registry Number | 13191-36-1 | ||||||||
| IUPAC Name | 2,5-dibromo-3-methylthiophene | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=C(Br)SC(Br)=C1 | ||||||||
| InChI Identifier | InChI=1S/C5H4Br2S/c1-3-2-4(6)8-5(3)7/h2H,1H3 | ||||||||
| InChI Key | IHFXZROPBCBLLG-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Description | belongs to the class of organic compounds known as 2,3,5-trisubstituted thiophenes. These are organic compounds containing a thiophene that is trisubstituted at the C-2, C3- and C5-positions. | ||||||||
| Kingdom | Organic compounds | ||||||||
| Super Class | Organoheterocyclic compounds | ||||||||
| Class | Thiophenes | ||||||||
| Sub Class | 2,3,5-trisubstituted thiophenes | ||||||||
| Direct Parent | 2,3,5-trisubstituted thiophenes | ||||||||
| Alternative Parents | |||||||||
| 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 | |||||||||
| Not Available | |||||||||
| 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 | 83219 | ||||||||
| 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 | ||||||||
