5-Benzylsulfanyl-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
Basic information
- CAS
69241-92-5- Standard SMILES
COC1=C(OC)C(=O)C(SCc2ccccc2)=CC1=O- InChIKey
OSNZALALDYAWMJ-UHFFFAOYSA-N- Molecular formula
- C15H14O4S
- Average molar mass
- 290.3 g/mol
- Monoisotopic mass
- 290.0612801
Names & identifiers
- Preferred name
- 5-Benzylsulfanyl-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
- IUPAC
- 5-benzylsulfanyl-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
Names & synonyms
69241-92-55-benzylsulfanyl-2,3-dimethoxycyclohexa-2,5-diene-1,4-dioneNSC274233DTXSID20313664NSC-2742332,4-dione, 2,3-dimethoxy-5-[(phenylmethyl)thio]-5-(BENZYLSULFANYL)-2,3-DIMETHOXYCYCLOHEXA-2,5-DIENE-1,4-DIONE
Database identifiers
- CAS
69241-92-5- PubChem CID
- 321648
- DTXSID
DTXSID20313664
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 458
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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