≥95%(E) 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488194134 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488194134 |
| Canonical Smiles | CC1=CC(=CC2=C1C(=O)C(=C3C(=O)C4=C(S3)C=C(C=C4C)Cl)S2)Cl |
| IUPAC Name | (2E)-6-chloro-2-(6-chloro-4-methyl-3-oxo-1-benzothiophen-2-ylidene)-4-methyl-1-benzothiophen-3-one |
| InChIKey | NDDLLTAIKYHPOD-ISLYRVAYSA-N |
| INCHI | 1S/C18H10Cl2O2S2/c1-7-3-9(19)5-11-13(7)15(21)17(23-11)18-16(22)14-8(2)4-10(20)6-12(14)24-18/h3-6H,1-2H3/b18-17+ |
| Isomeric SMILES | CC1=CC(=CC2=C1C(=O)/C(=C\3/C(=O)C4=C(S3)C=C(C=C4C)Cl)/S2)Cl |
| RTECS | DL9825500 |
| Molecular Weight | 393.3 |
| Reaxy-Rn | 14372716 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14372716&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 | Organosulfur compounds |
| Class | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl thioethers |
| Alternative Parents | Aryl ketones Vinylogous thioesters Benzenoids Aryl chlorides Thioenol ethers Organoheterocyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aryl thioether - Aryl ketone - Aryl chloride - Aryl halide - Vinylogous thioester - Benzenoid - Ketone - Thioenolether - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L2111310 | Certificate of Analysis | Sep 17, 2025 | O159984 |
| L2111311 | Certificate of Analysis | Sep 17, 2025 | O159984 |
| L2111312 | Certificate of Analysis | Sep 17, 2025 | O159984 |
| H2309641 | Certificate of Analysis | Jun 15, 2023 | O159984 |
| H2309642 | Certificate of Analysis | Jun 15, 2023 | O159984 |
| H2309646 | Certificate of Analysis | Jun 15, 2023 | O159984 |
| H2309638 | Certificate of Analysis | Jun 14, 2023 | O159984 |
| H2309649 | Certificate of Analysis | Jun 14, 2023 | O159984 |
| F2307171 | Certificate of Analysis | May 29, 2023 | O159984 |
| F2308370 | Certificate of Analysis | May 29, 2023 | O159984 |
| F2308371 | Certificate of Analysis | May 29, 2023 | O159984 |
| E2325098 | Certificate of Analysis | Jul 15, 2022 | O159984 |
| K2209819 | Certificate of Analysis | Jul 15, 2022 | O159984 |
| Molecular Weight | 393.300 g/mol |
|---|---|
| XLogP3 | 6.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 391.95 Da |
| Monoisotopic Mass | 391.95 Da |
| Topological Polar Surface Area | 84.700 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 568.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
| 1. Kai-Qiang He, Xiao-Ru Zhang, Yuan-Peng Li, Xue-Lei Duan, Yan Li, Yang-Hong Jiang, Xiao-Dong Yuan, Ke-Gang Zhang, Chun-Gang Yuan. (2022) Identification of mercury species in coal combustion by-products from power plants using thermal desorption-atomic fluorescence spectrometry on-line coupling system. CHEMOSPHERE, [PMID:36370763] [10.1016/j.chemosphere.2022.137206] |
| 2. Ting Shi, Qian Jia, Hongning Wang, Ruoyu Chen. (2021) Preparation of superhydrophobic and oleophobic antireflective coating with high transmittance. SURFACE & COATINGS TECHNOLOGY, [PMID:] [10.1016/j.surfcoat.2021.127863] |
