for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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)SCC(=C)Cl |
|---|---|
| IUPAC Name | S-(2-chloroprop-2-enyl) ethanethioate |
| InChIKey | YJNWQXNLWIKNIM-UHFFFAOYSA-N |
| INCHI | 1S/C5H7ClOS/c1-4(6)3-8-5(2)7/h1,3H2,2H3 |
| Isomeric SMILES | CC(=O)SCC(=C)Cl |
| Molecular Weight | 150.63 |
| Reaxy-Rn | 1924498 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1924498&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 | Organic acids and derivatives |
| Class | Thiocarboxylic acids and derivatives |
| Subclass | Thioesters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thioesters |
| Alternative Parents | Carbothioic S-esters Vinyl chlorides Sulfenyl compounds Chloroalkenes Carboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Thiocarboxylic acid ester - Carbothioic s-ester - Carboxylic acid derivative - Vinyl chloride - Vinyl halide - Sulfenyl compound - Haloalkene - Chloroalkene - Carbonyl group - Organic oxygen compound - Organosulfur compound - Organohalogen compound - Organic oxide - Organochloride - Organooxygen compound - Hydrocarbon derivative - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as thioesters. These are organic compounds containing an ester of thiocarboxylic acid, with the general structure RC(=S)XR' (R=H, alkyl, aryl; R'=alkyl, aryl; X=O,S). |
| External Descriptors | Not available |
| Molecular Weight | 150.630 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 149.991 Da |
| Monoisotopic Mass | 149.991 Da |
| Topological Polar Surface Area | 42.400 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 111.000 |
| 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 |
