Basic information
- CAS
506443-24-9- Standard SMILES
O=C1c2cccc(SCCCCCCO)c2C(=O)c2cccc(SCCCCCCO)c21- InChIKey
YLNVSCLIKOKDBP-UHFFFAOYSA-N- Molecular formula
- C26H32O4S2
- Average molar mass
- 472.7 g/mol
- Monoisotopic mass
- 472.17420184
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1,5-bis[(6-hydroxyhexyl)thio]-
- IUPAC
- 1,5-bis(6-hydroxyhexylsulfanyl)anthracene-9,10-dione
Names & synonyms
506443-24-91,5-Bis((6-hydroxyhexyl)thio)anthracene-9,10-dione9,10-Anthracenedione, 1,5-bis[(6-hydroxyhexyl)thio]-CHEMBL112230SCHEMBL6367308DTXSID604502891,5-BIS[(6-HYDROXYHEXYL)SULFANYL]ANTHRACENE-9,10-DIONE
Database identifiers
- CAS
506443-24-9- PubChem CID
- 10972767
- DTXSID
DTXSID60450289- ChEMBL
CHEMBL112230- Nikkaji
- J1.816.727A
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 534
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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