Basic information
- CAS
21991-08-2- Standard SMILES
Cc1cc(C)c(S(=O)(=O)c2cccs2)c(C)c1- InChIKey
XMALHJZMBNKGMM-UHFFFAOYSA-N- Molecular formula
- C13H14O2S2
- Average molar mass
- 266.4 g/mol
- Monoisotopic mass
- 266.04352203
Names & identifiers
- Preferred name
- 2-(2,4,6-Trimethylphenyl)sulfonylthiophene
- IUPAC
- 2-(2,4,6-trimethylphenyl)sulfonylthiophene
Names & synonyms
NSC40333321991-08-2DTXSID00323201NSC-4033332-(2,4,6-Trimethylbenzene-1-sulfonyl)thiophene
Database identifiers
- CAS
21991-08-2- PubChem CID
- 345623
- DTXSID
DTXSID00323201
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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