1,4-Naphthalenedione, 2,3-bis[(4-methoxyphenyl)thio]-
Basic information
- CAS
89477-84-9- Standard SMILES
COc1ccc(SC2=C(Sc3ccc(OC)cc3)C(=O)c3ccccc3C2=O)cc1- InChIKey
QMQKTJBMOPHURH-UHFFFAOYSA-N- Molecular formula
- C24H18O4S2
- Average molar mass
- 434.5 g/mol
- Monoisotopic mass
- 434.0646514
Names & identifiers
- Preferred name
- 1,4-Naphthalenedione, 2,3-bis[(4-methoxyphenyl)thio]-
- IUPAC
- 2,3-bis[(4-methoxyphenyl)sulfanyl]naphthalene-1,4-dione
Names & synonyms
1,4-Naphthalenedione, 2,3-bis[(4-methoxyphenyl)thio]-2,3-bis[(4-methoxyphenyl)sulfanyl]naphthalene-1,4-dione89477-84-9DTXSID00468146
Database identifiers
- CAS
89477-84-9- PubChem CID
- 11532151
- DTXSID
DTXSID00468146
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 604
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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