Basic information
- CAS
31892-68-9- Standard SMILES
Cc1scnc1-c1ccccc1.Cc1scnc1-c1ccccc1.O=S(=O)(O)CCS(=O)(=O)O- InChIKey
PPKISWROWJRDRF-UHFFFAOYSA-N- Molecular formula
- C22H24N2O6S4
- Average molar mass
- 540.7 g/mol
- Monoisotopic mass
- 540.05172118
Names & identifiers
- Preferred name
- Ethane-1,2-disulfonic acid--5-methyl-4-phenyl-1,3-thiazole (1/2)
- IUPAC
- ethane-1,2-disulfonic acid;bis(5-methyl-4-phenyl-1,3-thiazole)
- English name
- ethane-1,2-disulfonic acid, 5-methyl-4-phenyl-1,3-thiazole
- Molecular formula
- C12H15NO6S3
- Molecular weight
- 365.43
Names & synonyms
31892-68-9DTXSID70953796Ethane-1,2-disulfonic acid--5-methyl-4-phenyl-1,3-thiazole (1/2)RefChem:1084358DTXCID2013818375-Methyl-4-phenylthiazole, 1,2-ethanedisulfonate (2:1)Thiazole, 5-methyl-4-phenyl-, 1,2-ethanedisulfonate (2:1)ethane-1,2-disulfonic acid, 5-methyl-4-phenyl-1,3-thiazole
Database identifiers
- CAS
31892-68-9- PubChem CID
- 208271
- DTXSID
DTXSID70953796
Properties
Computed structural properties
- Topological polar surface area
- 208 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 381
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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