Basic information
- CAS
23853-46-5- Standard SMILES
CC1(C)CC(=O)C(CSc2ccccc2)C(=O)C1- InChIKey
UYTTWXZHOMFMBY-UHFFFAOYSA-N- Molecular formula
- C15H18O2S
- Average molar mass
- 262.4 g/mol
- Monoisotopic mass
- 262.10275099
Names & identifiers
- Preferred name
- 5,5-Dimethyl-2-(phenylsulfanylmethyl)cyclohexane-1,3-dione
- IUPAC
- 5,5-dimethyl-2-(phenylsulfanylmethyl)cyclohexane-1,3-dione
Names & synonyms
23853-46-55,5-dimethyl-2-(phenylsulfanylmethyl)cyclohexane-1,3-dioneNSC280641DTXSID90314087NSC-2806415,5-DIMETHYL-2-[(PHENYLSULFANYL)METHYL]CYCLOHEXANE-1,3-DIONE
Database identifiers
- CAS
23853-46-5- PubChem CID
- 322571
- DTXSID
DTXSID90314087
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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