Thiazole, 5-ethyl-4-methyl-, 1,2-ethanedisulfonate (2:1)
Basic information
- CAS
29584-85-8- Standard SMILES
CCc1scnc1C.CCc1scnc1C.O=S(=O)(O)CCS(=O)(=O)O- InChIKey
JFFGTXIWGDCNMY-UHFFFAOYSA-N- Molecular formula
- C14H24N2O6S4
- Average molar mass
- 444.6 g/mol
- Monoisotopic mass
- 444.05172118
Names & identifiers
- Preferred name
- Thiazole, 5-ethyl-4-methyl-, 1,2-ethanedisulfonate (2:1)
- IUPAC
- ethane-1,2-disulfonic acid;bis(5-ethyl-4-methyl-1,3-thiazole)
Names & synonyms
5-Ethyl-4-methylthiazole 1,2-ethanedisulfonateThiazole, 5-ethyl-4-methyl-, 1,2-ethanedisulfonate (2:1)29584-85-8DTXSID10183757RefChem:384596DTXCID50106248Ethane-1,2-disulfonic acid--5-ethyl-4-methyl-1,3-thiazole (1/2)
Database identifiers
- CAS
29584-85-8- PubChem CID
- 207274
- DTXSID
DTXSID10183757
Properties
Computed structural properties
- Topological polar surface area
- 208 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 314
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Related reactions
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Compound notes
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