≥95% 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.
| Sonrisas canónicas | CSC1=CC=C(C=C1)C(=O)Cl |
|---|---|
| IUPAC Name | 4-methylsulfanylbenzoyl chloride |
| InChIKey | MIEJPWILCQAQKT-UHFFFAOYSA-N |
| INCHI | 1S/C8H7ClOS/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3 |
| Isómeros SMILES | CSC1=CC=C(C=C1)C(=O)Cl |
| WGK Alemania | 3 |
| Peso molecular | 186.66 |
| Reaxy-Rn | 2082810 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2082810&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 | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Sulfanylbenzoic acids and derivatives |
| Direct Parent | P-sulfanylbenzoic acids and derivatives |
| Alternative Parents | Thiophenol ethers Benzoyl derivatives Alkylarylthioethers Sulfenyl compounds Acyl chlorides Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | P-sulfanylbenzoic acid or derivatives - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Sulfenyl compound - Thioether - Acyl halide - Acyl chloride - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as p-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 4, respectively. |
| External Descriptors | Not available |
| Punto de inflamación (°F) | >230 °F |
|---|---|
| Punto de inflamación (°C) | >110 °C |
| Peso molecular | 186.660 g/mol |
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 185.991 Da |
| Monoisotopic Mass | 185.991 Da |
| Topological Polar Surface Area | 42.400 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 141.000 |
| 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 |
