1-Methyl-4-(2-methylsulfonylethylsulfonyl)benzene
Basic information
- CAS
5324-58-3- Standard SMILES
Cc1ccc(S(=O)(=O)CCS(C)(=O)=O)cc1- InChIKey
DVZWJUUZLSCUQB-UHFFFAOYSA-N- Molecular formula
- C10H14O4S2
- Average molar mass
- 262.4 g/mol
- Monoisotopic mass
- 262.03335127
Names & identifiers
- Preferred name
- 1-Methyl-4-(2-methylsulfonylethylsulfonyl)benzene
- IUPAC
- 1-methyl-4-(2-methylsulfonylethylsulfonyl)benzene
Names & synonyms
1-methyl-4-(2-methylsulfonylethylsulfonyl)benzene5324-58-3NSC2708DTXSID80277516NSC-27081-[2-(Methanesulfonyl)ethanesulfonyl]-4-methylbenzene
Database identifiers
- CAS
5324-58-3- PubChem CID
- 220241
- DTXSID
DTXSID80277516
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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