2-[5-methyl-2-(6-nitro-1,3-benzothiazol-2-yl)-3-oxo-1h-pyrazol-4-yl]acetic acid (CHEM282540)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-27 22:54:44 UTC | ||||||||
| Update Date | 2026-08-27 22:54:44 UTC | ||||||||
| Accession Number | CHEM282540 | ||||||||
| Identification | |||||||||
| Common Name | 2-[5-methyl-2-(6-nitro-1,3-benzothiazol-2-yl)-3-oxo-1h-pyrazol-4-yl]acetic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C13H10N4O5S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 334.037 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 2-[5-methyl-2-(6-nitro-1,3-benzothiazol-2-yl)-3-oxo-1h-pyrazol-4-yl]acetic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=C(C(=O)N(N1)C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])CC(=O)O | ||||||||
| InChI Identifier | InChI=1S/C13H10N4O5S/c1-6-8(5-11(18)19)12(20)16(15-6)13-14-9-3-2-7(17(21)22)4-10(9)23-13/h2-4,15H,5H2,1H3,(H,18,19) | ||||||||
| InChI Key | IWAIQFVXTQHMFX-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 |
| ||||||||
| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
| ||||||||
| 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 | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
