2-(Butylsulfanyl)-5,8-dihydroxynaphthalene-1,4-dione
Basic information
- CAS
65726-73-0- Standard SMILES
CCCCSC1=CC(=O)c2c(O)ccc(O)c2C1=O- InChIKey
HLHWZXNMZUMIPK-UHFFFAOYSA-N- Molecular formula
- C14H14O4S
- Average molar mass
- 278.33 g/mol
- Monoisotopic mass
- 278.0612801
Names & identifiers
- Preferred name
- 2-(Butylsulfanyl)-5,8-dihydroxynaphthalene-1,4-dione
- IUPAC
- 2-butylsulfanyl-5,8-dihydroxynaphthalene-1,4-dione
Names & synonyms
65726-73-0NSC2700252-(Butylsulfanyl)-5,8-dihydroxynaphthalene-1,4-dioneDTXSID90313414NSC-270025
Database identifiers
- CAS
65726-73-0- PubChem CID
- 320890
- DTXSID
DTXSID90313414
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 404
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…