Basic information
- CAS
68160-33-8- Standard SMILES
COC1=C(OC)C(=O)C(Sc2cccc(OC)c2)=CC1=O- InChIKey
LXNVYTLCYZHBMQ-UHFFFAOYSA-N- Molecular formula
- C15H14O5S
- Average molar mass
- 306.3 g/mol
- Monoisotopic mass
- 306.05619472
Names & identifiers
- Preferred name
- 2,3-Dimethoxy-5-[(3-methoxyphenyl)sulfanyl]cyclohexa-2,5-diene-1,4-dione
- IUPAC
- 2,3-dimethoxy-5-(3-methoxyphenyl)sulfanylcyclohexa-2,5-diene-1,4-dione
Names & synonyms
68160-33-8NSC290814DTXSID403149962,3-Dimethoxy-5-[(3-methoxyphenyl)sulfanyl]cyclohexa-2,5-diene-1,4-dioneNSC-2908142,4-dione, 2,3-dimethoxy-5-[(3-methoxyphenyl)thio]-
Database identifiers
- CAS
68160-33-8- PubChem CID
- 324692
- DTXSID
DTXSID40314996
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 494
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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