4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl sulfide (CHEM060566)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-03 02:53:21 UTC | ||||||||
| Update Date | 2026-04-03 02:53:21 UTC | ||||||||
| Accession Number | CHEM060566 | ||||||||
| Identification | |||||||||
| Common Name | 4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl sulfide | ||||||||
| Class | Small Molecule | ||||||||
| Description | 4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl sulfide belongs to the aryl thioethers, a subclass of thioethers within the organic compounds. This organosulfur compound has the chemical formula C21H19N5S2. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C21H19N5S2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 405.108 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 4-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C21H19N5S2/c1-2-12-26-18(14-8-4-3-5-9-14)24-25-21(26)28-20-17-15-10-6-7-11-16(15)27-19(17)22-13-23-20/h2-5,8-9,13H,1,6-7,10-12H2 | ||||||||
| InChI Key | PQAQQYGOSAGJRR-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Description | belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups. | ||||||||
| Kingdom | Organic compounds | ||||||||
| Super Class | Organosulfur compounds | ||||||||
| Class | Thioethers | ||||||||
| Sub Class | Aryl thioethers | ||||||||
| Direct Parent | Diarylthioethers | ||||||||
| Alternative Parents | |||||||||
| Substituents |
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| Molecular Framework | Aromatic heteropolycyclic 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 | 2814611 | ||||||||
| 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 | ||||||||
