Basic information
- CAS
29584-89-2- Standard SMILES
CCc1cscn1.CCc1cscn1.O=S(=O)(O)CCS(=O)(=O)O- InChIKey
DSNKNOSKHVCKIN-UHFFFAOYSA-N- Molecular formula
- C12H20N2O6S4
- Average molar mass
- 416.6 g/mol
- Monoisotopic mass
- 416.02042106
Names & identifiers
- Preferred name
- Thiazole, 4-ethyl-, 1,2-ethanedisulfonate (2:1)
- IUPAC
- ethane-1,2-disulfonic acid;bis(4-ethyl-1,3-thiazole)
Names & synonyms
Thiazole, 4-ethyl-, 1,2-ethanedisulfonate (2:1)4-Ethylthiazole 1,2-ethanedisulfonate29584-89-2DTXSID00183761RefChem:384570DTXCID40106252Ethane-1,2-disulfonic acid--4-ethyl-1,3-thiazole (1/2)
Database identifiers
- CAS
29584-89-2- PubChem CID
- 207281
- DTXSID
DTXSID00183761
Properties
Computed structural properties
- Topological polar surface area
- 208 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…