Thiazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate (1:1), hydrate
Basic information
- CAS
29584-87-0- Standard SMILES
Cc1ncsc1C(C)C.Cc1ncsc1C(C)C.O=S(=O)(O)CCS(=O)(=O)O- InChIKey
KTTTVOYTUHNAJW-UHFFFAOYSA-N- Molecular formula
- C16H28N2O6S4
- Average molar mass
- 472.7 g/mol
- Monoisotopic mass
- 472.08302131
Names & identifiers
- Preferred name
- Thiazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate (1:1), hydrate
- IUPAC
- ethane-1,2-disulfonic acid;bis(4-methyl-5-propan-2-yl-1,3-thiazole)
Names & synonyms
5-Isopropyl-4-methylthiazole 1,2-ethanedisulfonate hydrateThiazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate (1:1), hydrate29584-87-0DTXSID30183759RefChem:384599DTXCID20106250Ethane-1,2-disulfonic acid--4-methyl-5-(propan-2-yl)-1,3-thiazole (1/2)
Database identifiers
- CAS
29584-87-0- PubChem CID
- 207277
- DTXSID
DTXSID30183759
Properties
Computed structural properties
- Topological polar surface area
- 208 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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