Thiazole, 4-isobutyl-, 1,2-ethanedisulfonate (2:1)
Basic information
- CAS
29584-90-5- Standard SMILES
CC(C)Cc1cscn1.CC(C)Cc1cscn1.O=S(=O)(O)CCS(=O)(=O)O- InChIKey
SMTCVSUXYSNHFN-UHFFFAOYSA-N- Molecular formula
- C16H28N2O6S4
- Average molar mass
- 472.7 g/mol
- Monoisotopic mass
- 472.08302131
Names & identifiers
- Preferred name
- Thiazole, 4-isobutyl-, 1,2-ethanedisulfonate (2:1)
- IUPAC
- ethane-1,2-disulfonic acid;bis(4-(2-methylpropyl)-1,3-thiazole)
Names & synonyms
4-Isobutylthiazole 1,2-ethanedisulfonateThiazole, 4-isobutyl-, 1,2-ethanedisulfonate (2:1)29584-90-5DTXSID60183762RefChem:384572DTXCID00106253Ethane-1,2-disulfonic acid--4-(2-methylpropyl)-1,3-thiazole (1/2)
Database identifiers
- CAS
29584-90-5- PubChem CID
- 207283
- DTXSID
DTXSID60183762
Properties
Computed structural properties
- Topological polar surface area
- 208 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 322
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Compound notes
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