4-Chloro-2H-1-benzothiopyran-3-carboxaldehyde (CHEM064969)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-03 14:30:11 UTC | ||||||||
| Update Date | 2026-04-03 14:30:11 UTC | ||||||||
| Accession Number | CHEM064969 | ||||||||
| Identification | |||||||||
| Common Name | 4-Chloro-2H-1-benzothiopyran-3-carboxaldehyde | ||||||||
| Class | Small Molecule | ||||||||
| Description | 4-Chloro-2H-1-benzothiopyran-3-carboxaldehyde belongs to the thiochromenes, a class of organoheterocyclic compounds within the organic compounds. It has the formula C10H7Cl1O1S1 and an average molecular weight of 210.68 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C10H7Cl1O1S1 | ||||||||
| Average Molecular Mass | 210.680 g/mol | ||||||||
| Monoisotopic Mass | 209.991 g/mol | ||||||||
| CAS Registry Number | 14063-83-3 | ||||||||
| IUPAC Name | 4-chloro-2H-thiochromene-3-carbaldehyde | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | ClC1=C(CSC2=CC=CC=C12)C=O | ||||||||
| InChI Identifier | InChI=1S/C10H7ClOS/c11-10-7(5-12)6-13-9-4-2-1-3-8(9)10/h1-5H,6H2 | ||||||||
| InChI Key | DADSQEKJVIEJHZ-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Description | belongs to the class of organic compounds known as thiochromenes. These are organosulfur compounds that are analogues to chromene, with the difference that are sulfur atom replaces the oxygen atom. | ||||||||
| Kingdom | Organic compounds | ||||||||
| Super Class | Organoheterocyclic compounds | ||||||||
| Class | Thiochromenes | ||||||||
| Sub Class | Not Available | ||||||||
| Direct Parent | Thiochromenes | ||||||||
| 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 | |||||||||
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| 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 | 84181 | ||||||||
| 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 | ||||||||
