{5-[(Dimethylamino)methyl]furan-2-yl}methanethiol (CHEM056068)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-03-26 19:05:57 UTC | ||||||||
| Update Date | 2026-03-26 19:05:57 UTC | ||||||||
| Accession Number | CHEM056068 | ||||||||
| Identification | |||||||||
| Common Name | {5-[(Dimethylamino)methyl]furan-2-yl}methanethiol | ||||||||
| Class | Small Molecule | ||||||||
| Description | {5-[(Dimethylamino)methyl]furan-2-yl}methanethiol belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. This compound has the formula C8H13N1O1S1 and an average molecular weight of 171.26 g/mol. It is further classified as an organic nitrogen compound. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C8H13N1O1S1 | ||||||||
| Average Molecular Mass | 171.260 g/mol | ||||||||
| Monoisotopic Mass | 171.072 g/mol | ||||||||
| CAS Registry Number | 80646-14-6 | ||||||||
| IUPAC Name | [5-[(dimethylamino)methyl]furan-2-yl]methanethiol | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CN(C)CC1=CC=C(CS)O1 | ||||||||
| InChI Identifier | InChI=1S/C8H13NOS/c1-9(2)5-7-3-4-8(6-11)10-7/h3-4,11H,5-6H2,1-2H3 | ||||||||
| InChI Key | KLPXXRDSVDIUIL-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Description | belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group. | ||||||||
| Kingdom | Organic compounds | ||||||||
| Super Class | Organic nitrogen compounds | ||||||||
| Class | Organonitrogen compounds | ||||||||
| Sub Class | Amines | ||||||||
| Direct Parent | Aralkylamines | ||||||||
| 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 | 12888900 | ||||||||
| 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 | ||||||||
