1,3,5-Tris[(2-methylphenyl)sulfonyl]-1,3,5-triazinane
Basic information
- CAS
52082-68-5- Standard SMILES
Cc1ccccc1S(=O)(=O)N1CN(S(=O)(=O)c2ccccc2C)CN(S(=O)(=O)c2ccccc2C)C1- InChIKey
UAYBLRWYOAUFDI-UHFFFAOYSA-N- Molecular formula
- C24H27N3O6S3
- Average molar mass
- 549.7 g/mol
- Monoisotopic mass
- 549.10619911
Names & identifiers
- Preferred name
- 1,3,5-Tris[(2-methylphenyl)sulfonyl]-1,3,5-triazinane
- IUPAC
- 1,3,5-tris[(2-methylphenyl)sulfonyl]-1,3,5-triazinane
Names & synonyms
1,3,5-Tris[(2-methylphenyl)sulfonyl]-1,3,5-triazinane52082-68-51,3,5-Tris(o-tolylsulfonyl)-hexahydro-1,3,5-triazineDTXSID70340248UAYBLRWYOAUFDI-UHFFFAOYSA-N1,3,5-Tris(2-methylbenzene-1-sulfonyl)-1,3,5-triazinane1,3,5-Tris[(2-methylphenyl)sulfonyl]-1,3,5-triazinane #
Database identifiers
- CAS
52082-68-5- PubChem CID
- 562883
- DTXSID
DTXSID70340248
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 928
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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