Determine the necessary mass, volume, or concentration for preparing a solution.
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2mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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 406 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Laser dye
| パブケム・シド | 528776553 |
|---|---|
| カノニカル・スマイル | CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4S3 |
| IUPAC Name | 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one |
| InChIKey | VBVAVBCYMYWNOU-UHFFFAOYSA-N |
| INCHI | 1S/C20H18N2O2S/c1-3-22(4-2)14-10-9-13-11-15(20(23)24-17(13)12-14)19-21-16-7-5-6-8-18(16)25-19/h5-12H,3-4H2,1-2H3 |
| 異性体SMILES | CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4S3 |
| WGKドイツ | 3 |
| 分子量 | 350.43 |
| Beilstein | 1085798 |
| Reaxy-Rn | 1085798 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1085798&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 |
| 分類 | Coumarins and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Coumarins and derivatives |
| Alternative Parents | 1-benzopyrans Benzothiazoles Dialkylarylamines Pyranones and derivatives Benzenoids Thiazoles Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Coumarin - Benzopyran - 1-benzopyran - 1,3-benzothiazole - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Pyranone - Pyran - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Lactone - Tertiary amine - Azacycle - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| 説明 | 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 | 7-aminocoumarins |
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| 感度 | Light Sensitive |
|---|---|
| 融点(°C) | 205-208°C |
| 分子量 | 350.400 g/mol |
| XLogP3 | 4.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 350.109 Da |
| Monoisotopic Mass | 350.109 Da |
| Topological Polar Surface Area | 70.700 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 534.000 |
| 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 |