3-[(4-Fluorophenyl)sulfanyl]-2-hydroxy-2-methylpropanoic acid (CHEM056233)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-03-26 19:44:11 UTC | ||||||||
| Update Date | 2026-08-17 22:19:45 UTC | ||||||||
| Accession Number | CHEM056233 | ||||||||
| Identification | |||||||||
| Common Name | 3-[(4-Fluorophenyl)sulfanyl]-2-hydroxy-2-methylpropanoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 3-[(4-Fluorophenyl)sulfanyl]-2-hydroxy-2-methylpropanoic acid belongs to the aryl thioethers, a subclass of thioethers within the organic compounds. This organosulfur compound has the chemical formula C10H11F1O3S1 and an average molecular weight of 230.25 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C10H11F1O3S1 | ||||||||
| Average Molecular Mass | 230.250 g/mol | ||||||||
| Monoisotopic Mass | 230.041 g/mol | ||||||||
| CAS Registry Number | 339530-91-5 | ||||||||
| IUPAC Name | 3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(O)(CSC1=CC=C(F)C=C1)C(O)=O | ||||||||
| InChI Identifier | InChI=1S/C10H11FO3S/c1-10(14,9(12)13)6-15-8-4-2-7(11)3-5-8/h2-5,14H,6H2,1H3,(H,12,13) | ||||||||
| InChI Key | CTYJERNWLVBMTF-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 | ||||||||
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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 | ||||||||
