≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated 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 | CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCCl |
|---|---|
| IUPAC Name | 1-[10-(3-chloropropyl)phenothiazin-2-yl]ethanone |
| InChIKey | LSYMJLKGKFWMLP-UHFFFAOYSA-N |
| INCHI | 1S/C17H16ClNOS/c1-12(20)13-7-8-17-15(11-13)19(10-4-9-18)14-5-2-3-6-16(14)21-17/h2-3,5-8,11H,4,9-10H2,1H3 |
| Isomeric SMILES | CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCCl |
| PubChem CID | 3016079 |
| Molecular Weight | 317.83 |
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 Acetophenones Aryl alkyl ketones 1,4-thiazines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenothiazine - Alkyldiarylamine - Diarylthioether - Acetophenone - Aryl thioether - Tertiary aliphatic/aromatic amine - Aryl alkyl ketone - Aryl ketone - Para-thiazine - Benzenoid - Ketone - Tertiary amine - Thioether - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Amine - Alkyl halide - Alkyl chloride - 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 |
| Molecular Weight | 317.800 g/mol |
|---|---|
| XLogP3 | 4.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 317.064 Da |
| Monoisotopic Mass | 317.064 Da |
| Topological Polar Surface Area | 45.600 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 378.000 |
| 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 |
