2-[[4-amino-5-(1,3-benzodioxol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid (CHEM276138)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-26 20:16:26 UTC | ||||||||
| Update Date | 2026-08-26 20:16:26 UTC | ||||||||
| Accession Number | CHEM276138 | ||||||||
| Identification | |||||||||
| Common Name | 2-[[4-amino-5-(1,3-benzodioxol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2-[[4-amino-5-(1,3-benzodioxol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid belongs to the benzodioxoles, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C11H10N4O4S and an average molecular weight of 294.29 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C11H10N4O4S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 294.042 g/mol | ||||||||
| CAS Registry Number | 110767-59-4 | ||||||||
| IUPAC Name | 2-[[4-amino-5-(1,3-benzodioxol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3N)SCC(=O)O | ||||||||
| InChI Identifier | InChI=1S/C11H10N4O4S/c12-15-10(13-14-11(15)20-4-9(16)17)6-1-2-7-8(3-6)19-5-18-7/h1-3H,4-5,12H2,(H,16,17) | ||||||||
| InChI Key | TYCGEFVJGGTSAQ-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 | |||||||||
| Not Available | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
