3-[2-(Pyrrolidin-1-yl)ethoxy]-1,2-benzisothiazole (CHEM096772)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 08:07:14 UTC | ||||||||
| Update Date | 2026-04-05 08:07:14 UTC | ||||||||
| Accession Number | CHEM096772 | ||||||||
| Identification | |||||||||
| Common Name | 3-[2-(Pyrrolidin-1-yl)ethoxy]-1,2-benzisothiazole | ||||||||
| Class | Small Molecule | ||||||||
| Description | 3-[2-(Pyrrolidin-1-yl)ethoxy]-1,2-benzisothiazole belongs to the benzothiazoles, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C13H16N2OS and an average molecular weight of 248.34 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C13H16N2OS | ||||||||
| Average Molecular Mass | 248.340 g/mol | ||||||||
| Monoisotopic Mass | 248.098 g/mol | ||||||||
| CAS Registry Number | 94087-35-1 | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C(CN1CCCC1)OC1=NSC2=CC=CC=C12 | ||||||||
| InChI Identifier | InChI=1/C13H16N2OS/c1-2-6-12-11(5-1)13(14-17-12)16-10-9-15-7-3-4-8-15/h1-2,5-6H,3-4,7-10H2 | ||||||||
| InChI Key | HREWNDJVZGCYKC-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 | ||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
