Determine the necessary mass, volume, or concentration for preparing a solution.
≥97% 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.
| Pubchem Sid | 504769012 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504769012 |
| Sonrisas canónicas | C1CSCCC1C(=O)O |
| IUPAC Name | thiane-4-carboxylic acid |
| InChIKey | SCKSQOIXSGPVJS-UHFFFAOYSA-N |
| INCHI | 1S/C6H10O2S/c7-6(8)5-1-3-9-4-2-5/h5H,1-4H2,(H,7,8) |
| Isómeros SMILES | C1CSCCC1C(=O)O |
| PubChem CID | 21598642 |
| Peso molecular | 146.2 |
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 |
| Clase | Thianes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thianes |
| Alternative Parents | Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Thiane - Dialkylthioether - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as thianes. These are heterocyclic compounds containing a saturated six-member ring with five carbon atoms and one sulfur atom. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Sep 13, 2023 | T178063 | |
| Certificate of Analysis | Sep 13, 2023 | T178063 | |
| Certificate of Analysis | Sep 13, 2023 | T178063 | |
| Certificate of Analysis | Sep 13, 2023 | T178063 | |
| Certificate of Analysis | Sep 13, 2023 | T178063 | |
| Certificate of Analysis | Sep 13, 2023 | T178063 | |
| Certificate of Analysis | Sep 13, 2023 | T178063 |
| Peso molecular | 146.210 g/mol |
|---|---|
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 146.04 Da |
| Monoisotopic Mass | 146.04 Da |
| Topological Polar Surface Area | 62.600 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 108.000 |
| 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 |