Basic information
- CAS
30158-42-0- Standard SMILES
Cc1cc(C)c(S(=O)(=O)CC(Cl)c2ccccc2)c(C)c1- InChIKey
UTKPPSFDXPLIGT-UHFFFAOYSA-N- Molecular formula
- C17H19ClO2S
- Average molar mass
- 322.8 g/mol
- Monoisotopic mass
- 322.0794287
Names & identifiers
- Preferred name
- 2-(2-Chloro-2-phenylethyl)sulfonyl-1,3,5-trimethylbenzene
- IUPAC
- 2-(2-chloro-2-phenylethyl)sulfonyl-1,3,5-trimethylbenzene
Names & synonyms
30158-42-02-(2-chloro-2-phenylethyl)sulfonyl-1,3,5-trimethylbenzeneNSC140164DTXSID40300955Benzene,2-[(2-chloro-2-phenylethyl)sulfonyl]-1,3,5-trimethyl-NSC-140164DS-0100382-(2-CHLORO-2-PHENYLETHANESULFONYL)-1,3,5-TRIMETHYLBENZENE
Database identifiers
- CAS
30158-42-0- PubChem CID
- 284352
- DTXSID
DTXSID40300955
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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