Pyributicarb metabolite 1 (CHEM121933)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 09:41:14 UTC | ||||||||
| Update Date | 2026-08-29 01:57:11 UTC | ||||||||
| Accession Number | CHEM121933 | ||||||||
| Identification | |||||||||
| Common Name | Pyributicarb metabolite 1 | ||||||||
| Class | Small Molecule | ||||||||
| Description | Pyributicarb metabolite 1 is an organic compound with the formula C17H20N2O2S and an average molecular weight of 316.40 g/mol. Pyributicarb metabolite 1 belongs to the phenylpropanes, a subclass of benzene and substituted derivatives within the organic compounds. This compound is associated with 13 recorded sources across multiple sectors. In the Electrical & Electronic Equipment sector, it is found in cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. Within Textiles, leather & furnishings, it is identified in synthetic textiles as well as carpets and rugs. It is also found in food packaging within the Food, food processing & cookware sector, and in medical devices within the Healthcare, pharmaceuticals & veterinary products sector. Additionally, the compound is present in lubricants used in both the Energy, oil & gas sector and the Industrial manufacturing & chemical processing sector, with one further sector also recorded. Recorded exposure routes for Pyributicarb metabolite 1 include inhalation, oral, and touch. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C17H20N2O2S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 316.125 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | O-(3-tert-butylphenyl) N-methyl-N-(6-oxo-1H-pyridin-2-yl)carbamothioate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(C)(C)C1=CC(=CC=C1)OC(=S)N(C)C2=CC=CC(=O)N2 | ||||||||
| InChI Identifier | InChI=1S/C17H20N2O2S/c1-17(2,3)12-7-5-8-13(11-12)21-16(22)19(4)14-9-6-10-15(20)18-14/h5-11H,1-4H3,(H,18,20) | ||||||||
| InChI Key | NXGVDGXPNJOHIJ-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 | ||||||||
