2-[[4-[(e)-(4-hydroxyphenyl)methylideneamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid (CHEM279410)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-27 19:05:03 UTC | ||||||||
| Update Date | 2026-08-27 19:05:03 UTC | ||||||||
| Accession Number | CHEM279410 | ||||||||
| Identification | |||||||||
| Common Name | 2-[[4-[(e)-(4-hydroxyphenyl)methylideneamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2-[[4-[(e)-(4-hydroxyphenyl)methylideneamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid belongs to the aryl thioethers, a subclass of thioethers within the organic compounds. It has the formula C12H12N4O3S and an average molecular weight of 292.32 g/mol. This compound is further classified as an organosulfur compound. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C12H12N4O3S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 292.063 g/mol | ||||||||
| CAS Registry Number | 540775-20-0 | ||||||||
| IUPAC Name | 2-[[4-[(e)-(4-hydroxyphenyl)methylideneamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=NN=C(N1N=CC2=CC=C(C=C2)O)SCC(=O)O | ||||||||
| InChI Identifier | InChI=1S/C12H12N4O3S/c1-8-14-15-12(20-7-11(18)19)16(8)13-6-9-2-4-10(17)5-3-9/h2-6,17H,7H2,1H3,(H,18,19)/b13-6+ | ||||||||
| InChI Key | MCFAKNDERAPPTQ-AWNIVKPZSA-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 | ||||||||
