1,3-Dithiane-2-carboxylic acid
Product Specifications
- CAS
- 20461-89-6
- Molecular Formula
- C5H8O2S2
- Appearance
- off-white solid
- Synonym(s)
- 1,3-Dithiane-2-carboxylicacid
- Shipping
- ambient temperature
- Storage
- 2-8°C
- SMILES
- C1CSC(SC1)C(=O)O
- InChI
- InChI=1S/C5H8O2S2/c6-4(7)5-8-2-1-3-9-5/h5H,1-3H2,(H,6,7)
Product Information
1,3-Dithiane-2-carboxylic acid is identified by CAS 20461-89-6 and molecular formula C5H8O2S2. PubChem returns one corresponding compound, CID 303705, under the same title. The page fields exactly match PubChem SMILES C1CSC(SC1)C(=O)O, InChI InChI=1S/C5H8O2S2/c6-4(7)5-8-2-1-3-9-5/h5H,1-3H2,(H,6,7), and InChIKey BZBYEAWKJNCPLB-UHFFFAOYSA-N. These identifiers describe one consistent molecular entity.
A 1,3-dithiane ring is a six-membered framework containing sulfur atoms at ring positions 1 and 3. In this record, carbon 2 bears the carboxylic acid group shown by the terminal C(=O)O portion of the SMILES. The remaining ring positions are carbon atoms, giving five total carbons after the carboxyl carbon is counted. Formula C5H8O2S2 reflects two sulfur atoms and the two oxygen atoms of that acid group, with no separate salt component.
To reference this precise entry, provide CAS 20461-89-6 and the full 1,3-Dithiane-2-carboxylic acid name. CID 303705, SMILES C1CSC(SC1)C(=O)O, or InChIKey BZBYEAWKJNCPLB-UHFFFAOYSA-N can be included when a drawing accompanies the request. The two sulfur positions and the carbon bearing the acid group form a specific sequence around the ring that should be retained during comparison. Rlavie can compare those details with the position-2 carboxyl attachment encoded here. The page defines the cited ring and acid connectivity and makes no statement beyond the confirmed identity fields.