Dimethyl(p-tolyl)sulfonium; 2,4,6-trinitrobenzenesulfonic acid
Basic information
- CAS
2870-25-9- Standard SMILES
Cc1ccc([S+](C)C)cc1.O=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)O)c([N+](=O)[O-])c1- InChIKey
AVSCCTYPDCTQFC-UHFFFAOYSA-N- Molecular formula
- C15H16N3O9S2+
- Average molar mass
- 446.4 g/mol
- Monoisotopic mass
- 446.03279644
Names & identifiers
- Preferred name
- Dimethyl(p-tolyl)sulfonium; 2,4,6-trinitrobenzenesulfonic acid
- IUPAC
- dimethyl-(4-methylphenyl)sulfanium;2,4,6-trinitrobenzenesulfonic acid
Names & synonyms
NSC98247NSC 982472870-25-9Sulfonium, dimethyl-p-tolyl-, 2,4,6-trinitrobenzenesulfonteDTXSID70182862dimethyl(p-tolyl)sulfonium; 2,4,6-trinitrobenzenesulfonic acid2,4,6-Tris(hydroxy(oxido)amino)benzenesulfonic acid compound with 1-(dimethyl-lambda~4~-sulfanyl)-4-methylbenzene (1:1)
Database identifiers
- CAS
2870-25-9- PubChem CID
- 498083
- DTXSID
DTXSID70182862
Properties
Computed structural properties
- Topological polar surface area
- 201 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 1
- Complexity
- 561
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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