Benzenamine, 4-(methylthio)- (CHEM059585)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-03 01:42:50 UTC | ||||||||
| Update Date | 2026-08-24 10:15:37 UTC | ||||||||
| Accession Number | CHEM059585 | ||||||||
| Identification | |||||||||
| Common Name | Benzenamine, 4-(methylthio)- | ||||||||
| Class | Small Molecule | ||||||||
| Description | Benzenamine, 4-(methylthio)- is an organic compound with the formula C7H9N1S1 and an average molecular weight of 139.22 g/mol. Benzenamine, 4-(methylthio)- belongs to the aryl thioethers, a subclass of thioethers within the organic compounds. This substance is categorized under the superclass of organosulfur compounds. It has been identified in or released from one recorded source, which includes household cleaning and consumer products specifically related to non electric simulated smoking devices. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms |
| ||||||||
| Chemical Formula | C7H9N1S1 | ||||||||
| Average Molecular Mass | 139.220 g/mol | ||||||||
| Monoisotopic Mass | 139.046 g/mol | ||||||||
| CAS Registry Number | 104-96-1 | ||||||||
| IUPAC Name | 4-methylsulfanylaniline | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CSC1=CC=C(N)C=C1 | ||||||||
| InChI Identifier | InChI=1S/C7H9NS/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3 | ||||||||
| InChI Key | YKFROQCFVXOUPW-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Description | belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group. | ||||||||
| Kingdom | Organic compounds | ||||||||
| Super Class | Organosulfur compounds | ||||||||
| Class | Thioethers | ||||||||
| Sub Class | Aryl thioethers | ||||||||
| Direct Parent | Aryl thioethers | ||||||||
| Alternative Parents | |||||||||
| Substituents |
| ||||||||
| Molecular Framework | Aromatic homomonocyclic 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 |
| ||||||||
| 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 | 66038 | ||||||||
| 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 | ||||||||
