Thiazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (2:1)
Basic information
- CAS
29584-84-7- Standard SMILES
Cc1ncsc1C.Cc1ncsc1C.O=S(=O)(O)CCS(=O)(=O)O- InChIKey
MTYBRWXTUDFKKV-UHFFFAOYSA-N- Molecular formula
- C12H20N2O6S4
- Average molar mass
- 416.6 g/mol
- Monoisotopic mass
- 416.02042106
Names & identifiers
- Preferred name
- Thiazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (2:1)
- IUPAC
- bis(4,5-dimethyl-1,3-thiazole);ethane-1,2-disulfonic acid
Names & synonyms
4,5-Dimethylthiazole 1,2-ethanedisulfonateThiazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (2:1)29584-84-7DTXSID50183756RefChem:384558DTXCID90106247Ethane-1,2-disulfonic acid--4,5-dimethyl-1,3-thiazole (1/2)
Database identifiers
- CAS
29584-84-7- PubChem CID
- 207273
- DTXSID
DTXSID50183756
Properties
Computed structural properties
- Topological polar surface area
- 208 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 304
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Compound notes
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