≥97% 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.
| Sonrisas canónicas | CC1(CSSC1)C(=O)O |
|---|---|
| InChIKey | CDYNUBURGFMPLE-UHFFFAOYSA-N |
| INCHI | 1S/C5H8O2S2/c1-5(4(6)7)2-8-9-3-5/h2-3H2,1H3,(H,6,7) |
| Isómeros SMILES | CC1(CSSC1)C(=O)O |
| Peso molecular | 164.25 |
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 | Dithiolanes |
| Subclass | Dithiolanecarboxylic acids |
| Intermediate Tree Nodes | 1,2-dithiolanecarboxylic acids |
| Direct Parent | 1,2-dithiolane-4-carboxylic acids |
| Alternative Parents | 1,2-dithiolanes Organic disulfides Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | 1,2-dithiolane-4-carboxylic acid - 1,2-dithiolane - Organic disulfide - 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 1,2-dithiolane-4-carboxylic acids. These are organic compounds containing a 1,2-dithiolane ring that bears a carboxylic acid group at the 4-position. |
| External Descriptors | Not available |
| Punto de ebullición (°C) | 305.7±31.0°C(Predicted) |
|---|---|
| Peso molecular | 164.300 g/mol |
| XLogP3 | 0.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 163.997 Da |
| Monoisotopic Mass | 163.997 Da |
| Topological Polar Surface Area | 87.900 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 129.000 |
| 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 |
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