0.4% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 4 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
(red)1.2 ～ 2.8(yellow), (yellow)7.4 ～ 9.0(purple)
| Sonrisas canónicas | CC1=C(C=CC(=C1)O)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=C(C=C(C=C4)O)C |
|---|---|
| IUPAC Name | 4-[3-(4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-3-methylphenol |
| InChIKey | OLQIKGSZDTXODA-UHFFFAOYSA-N |
| INCHI | 1S/C21H18O5S/c1-13-11-15(22)7-9-17(13)21(18-10-8-16(23)12-14(18)2)19-5-3-4-6-20(19)27(24,25)26-21/h3-12,22-23H,1-2H3 |
| Isómeros SMILES | CC1=C(C=CC(=C1)O)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=C(C=C(C=C4)O)C |
| WGK Alemania | 3 |
| Peso molecular | 382.43 |
| Beilstein | 350314 |
| Reaxy-Rn | 350314 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=350314&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Benzofurans |
| Subclass | Benzofuranones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzofuranones |
| Alternative Parents | Phthalides Benzoxathioles Meta cresols Toluenes 1-hydroxy-2-unsubstituted benzenoids Organosulfonic acid esters Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzofuranone - Phthalide - Benzoxathiole - M-cresol - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid ester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Oxacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzofuranones. These are organic compounds containing a benzene ring fused to a furanone. |
| External Descriptors | Not available |
| Peso molecular | 382.400 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 382.087 Da |
| Monoisotopic Mass | 382.087 Da |
| Topological Polar Surface Area | 92.200 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 615.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Xiao-Li Bing, Zi-Jian Liang, Jia Tian, Xue Gong, Shao-Qiu Huang, Jie Chen, Xiao-Yue Hong. (2023) The influence of Acetobacter pomorum bacteria on the developmental progression of Drosophila suzukii via gluconic acid secretion. MOLECULAR ECOLOGY, [PMID:37947376] [10.1111/mec.17202] |
| 2. Hao Dong, Xubin Zheng, Chen Cheng, Libin Qian, Yaoxuan Cui, Weiwei Wu, Qingjun Liu, Xing Chen, Yanli Lu, Qing Yang, Fenni Zhang, Di Wang. (2023) A Multimodal Sensing CMOS Imager Based on Dual-Focus Imaging. Advanced Science, 10 (14): (2206699). [PMID:36862008] [10.1002/advs.202206699] |
| 3. Meng-Meng Du, Yuan-Cheng Wang, Bao-Chang Sun, Yong Luo, Liang-Liang Zhang, Guang-Wen Chu, Hai-Kui Zou. (2025) Biocatalytic kinetics of the reaction between CO2 and tertiary amine using carbonic anhydrase. Chemical Engineering and Processing-Process Intensification, [PMID:] [10.1016/j.cep.2025.110218] |
| 4. Meng-Meng Du, Bao-Chang Sun, Bei-Bei Wang, Yong Luo, Liang-Liang Zhang, Guang-Wen Chu, Hai-Kui Zou, Jian-Feng Chen. (2024) Kinetic study on the reaction between CO2 and tertiary amine catalyzed by zinc(II) aza-macrocyclic complexes. AICHE JOURNAL, 70 (4): (e18366). [PMID:] [10.1002/aic.18366] |
