Determine the necessary mass, volume, or concentration for preparing a solution.
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for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| ALogP | 4.7 |
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| Canonical Smiles | CCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C |
|---|---|
| IUPAC Name | 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one |
| InChIKey | ZQTVCQIJTREKSP-UHFFFAOYSA-N |
| INCHI | 1S/C20H24N2OS/c1-4-18(23)15-10-11-20-17(14-15)22(13-7-12-21(2)3)16-8-5-6-9-19(16)24-20/h5-6,8-11,14H,4,7,12-13H2,1-3H3 |
| Isomeric SMILES | CCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C |
| Molecular Weight | 340.5 |
| Reaxy-Rn | 38502 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38502&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 |
| Class | Benzothiazines |
| Subclass | Phenothiazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenothiazines |
| Alternative Parents | Alkyldiarylamines Diarylthioethers Aryl alkyl ketones Benzenoids 1,4-thiazines Trialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenothiazine - Alkyldiarylamine - Diarylthioether - Aryl thioether - Tertiary aliphatic/aromatic amine - Aryl alkyl ketone - Aryl ketone - Para-thiazine - Benzenoid - Ketone - Tertiary amine - Tertiary aliphatic amine - Thioether - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring. |
| External Descriptors | Not available |
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| Molecular Weight | 340.500 g/mol |
|---|---|
| XLogP3 | 4.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 340.161 Da |
| Monoisotopic Mass | 340.161 Da |
| Topological Polar Surface Area | 48.900 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 428.000 |
| 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 |