# 5-溴-4-己基-2-噻吩硼酸MIDA酯 (CAS 1416241-98-9)

**CAS:** 1416241-98-9  
**PubChem CID:** [139044685](https://pubchem.ncbi.nlm.nih.gov/compound/139044685)  
**Molecular formula:** C15H21BBrNO4S  
**Molar mass:** 402.1 g/mol  
**IUPAC:** 1-(5-bromo-4-hexylthiophen-2-yl)-5-methyl-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octane-3,7-dione  
**SMILES:** `[B-]12([N+](CC(=O)O1)(CC(=O)O2)C)C3=CC(=C(S3)Br)CCCCCC`  
**InChIKey:** `LUTGFBKAKLMBHD-UHFFFAOYSA-N`  
**InChI:** `InChI=1S/C15H21BBrNO4S/c1-3-4-5-6-7-11-8-12(23-15(11)17)16-18(2,9-13(19)21-16)10-14(20)22-16/h8H,3-7,9-10H2,1-2H3`  

## Physicochemical properties

| Parameter | Value |
|---|---|
| PSA | 80.8 Ų |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 6 |
| Heavy atoms | 23 |

## Available in the shop

[5-溴-4-己基-2-噻吩硼酸MIDA酯 (CAS 1416241-98-9) — Shanghai Wanna Polymer](https://molgod.org/sds-cards/5-%e6%ba%b4-4-%e5%b7%b1%e5%9f%ba-2-%e5%99%bb%e5%90%a9%e7%a1%bc%e9%85%b8mida%e9%85%af-cas-1416241-98-9-shanghai-wanna-polymer/)

## Data sources

- [PubChem CID 139044685](https://pubchem.ncbi.nlm.nih.gov/compound/139044685)
- [NIST WebBook](https://webbook.nist.gov/cgi/cbook.cgi?ID=1416241-98-9)
- [ChEMBL](https://www.ebi.ac.uk/chembl/g/#search_results/all/query=1416241-98-9)

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*Last updated: 2026-09-02 · Generator: MOL-GOD v3.12.33*