≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCN(CC)CCNC1=C2C(=C(C=C1)C=O)SC3=CC=CC=C3C2=O |
|---|---|
| InChIKey | DRILSYDEPQSKEK-UHFFFAOYSA-N |
| INCHI | 1S/C20H22N2O2S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20/h5-10,13,21H,3-4,11-12H2,1-2H3 |
| Isomeric SMILES | CCN(CC)CCNC1=C2C(=C(C=C1)C=O)SC3=CC=CC=C3C2=O |
| Molecular Weight | 354.4659 |
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 |
| Class | Thiochromenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiochromenes |
| Alternative Parents | 1-benzothiopyrans Secondary alkylarylamines Aryl-aldehydes Benzenoids Vinylogous amides Heteroaromatic compounds Trialkylamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thiochromene - Benzothiopyran - 1-benzothiopyran - Secondary aliphatic/aromatic amine - Aryl-aldehyde - Benzenoid - Heteroaromatic compound - Vinylogous amide - Tertiary aliphatic amine - Tertiary amine - Secondary amine - Organic oxygen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Aldehyde - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as thiochromenes. These are organosulfur compounds that are analogues to chromene, with the difference that a sulfur atom replaces the oxygen atom. |
| External Descriptors | Not available |
| Boil Point(°C) | 557.1±50.0°C(Predicted) |
|---|---|
| Melt Point(°C) | 119.4-120.6 °C |
| Molecular Weight | 354.500 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 354.14 Da |
| Monoisotopic Mass | 354.14 Da |
| Topological Polar Surface Area | 74.700 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 469.000 |
| 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 |
![9H-Thioxanthene-4-carboxaldehyde， 1-[[2-(diethylamino)ethyl]amino]-9-oxo- - ≥95% CAS No(3613-13-6) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/H/7/H769379.jpg)