Basic information
- CAS
69241-93-6- Standard SMILES
COC1=C(OC)C(=O)C(SCc2ccco2)=CC1=O- InChIKey
WYZOKYDHQRFHFK-UHFFFAOYSA-N- Molecular formula
- C13H12O5S
- Average molar mass
- 280.3 g/mol
- Monoisotopic mass
- 280.04054465
Names & identifiers
- Preferred name
- 5-(Furan-2-ylmethylsulfanyl)-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
- IUPAC
- 5-(furan-2-ylmethylsulfanyl)-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
Names & synonyms
69241-93-6NSC2700385-(furan-2-ylmethylsulfanyl)-2,3-dimethoxycyclohexa-2,5-diene-1,4-dioneDTXSID80313423NSC-2700382,4-dione, 5-[(2-furanylmethyl)thio]-2,3-dimethoxy-5-{[(Furan-2-yl)methyl]sulfanyl}-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
Database identifiers
- CAS
69241-93-6- PubChem CID
- 320902
- DTXSID
DTXSID80313423
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 91 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 452
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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