≥98% 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 | 488195098 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488195098 |
| Canonical Smiles | CC1(CCN2CCC(C3=C4C(=CC1=C32)C=C(C(=O)O4)C5=NC6=CC=CC=C6S5)(C)C)C |
| IUPAC Name | 5-(1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one |
| InChIKey | MSDMPJCOOXURQD-UHFFFAOYSA-N |
| INCHI | 1S/C26H26N2O2S/c1-25(2)9-11-28-12-10-26(3,4)20-21(28)17(25)14-15-13-16(24(29)30-22(15)20)23-27-18-7-5-6-8-19(18)31-23/h5-8,13-14H,9-12H2,1-4H3 |
| Isomeric SMILES | CC1(CCN2CCC(C3=C4C(=CC1=C32)C=C(C(=O)O4)C5=NC6=CC=CC=C6S5)(C)C)C |
| WGK Germany | 3 |
| Molecular Weight | 430.56 |
| Reaxy-Rn | 7396893 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7396893&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 | Phenylpropanoids and polyketides |
| Class | Coumarins and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Coumarins and derivatives |
| Alternative Parents | 1-benzopyrans Hydroquinolines Benzothiazoles Dialkylarylamines Pyranones and derivatives Aralkylamines Benzenoids Heteroaromatic compounds Thiazoles Lactones Azacyclic compounds Oxacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Coumarin - Benzopyran - Tetrahydroquinoline - 1-benzopyran - 1,3-benzothiazole - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Pyranone - Aralkylamine - Pyran - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Lactone - Tertiary amine - Azacycle - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). |
| External Descriptors | benzothiazoles - 7-aminocoumarins |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2404244 | Certificate of Analysis | Jan 17, 2024 | C130046 |
| F2517323 | Certificate of Analysis | Jan 17, 2024 | C130046 |
| G2405021 | Certificate of Analysis | Jan 17, 2024 | C130046 |
| C1912170 | Certificate of Analysis | Jan 05, 2023 | C130046 |
| C2318958 | Certificate of Analysis | Dec 15, 2022 | C130046 |
| C2318961 | Certificate of Analysis | Dec 15, 2022 | C130046 |
| C2318967 | Certificate of Analysis | Dec 15, 2022 | C130046 |
| C2318969 | Certificate of Analysis | Dec 15, 2022 | C130046 |
| C2318975 | Certificate of Analysis | Dec 15, 2022 | C130046 |
| F23061350 | Certificate of Analysis | Dec 15, 2022 | C130046 |
| Melt Point(°C) | 230-232°C |
|---|---|
| Molecular Weight | 430.600 g/mol |
| XLogP3 | 6.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 430.171 Da |
| Monoisotopic Mass | 430.171 Da |
| Topological Polar Surface Area | 70.700 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 792.000 |
| 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. Peng-Fei Qian, Wen-Hao Geng, Ze-Long Bao, Li-Chao Jing, Di Zhang, Hong-Zhang Geng. (2024) Eco-friendly transparent conductive films formed by silver nanowires embedded with conductive polymers in HPMC for flexible OLEDs. Surfaces and Interfaces, [PMID:] [10.1016/j.surfin.2024.105583] |
| 2. Peng-Fei Qian, Tao Wang, Wen-Hao Geng, Ze-Long Bao, Li-Chao Jing, Yu-Long Guo, Tong-Yu Li, Tian-Li Wang, Yue-Xin Wang, Hong-Zhang Geng. (2025) All-solution processed layer-by-layer deposition of multifunctional flexible transparent conductive films with ultra-high adhesion. Surfaces and Interfaces, [PMID:] [10.1016/j.surfin.2025.106830] |
