5,10-Bis-dodecyloxy-1,6-dithia-dicyclopenta[a,f]naphthalene
Basic information
- Standard SMILES
CCCCCCCCCCCCOc1cc2c3ccsc3c(OCCCCCCCCCCCC)cc2c2ccsc12- InChIKey
ACWVWRCNNAFUFT-UHFFFAOYSA-N- Molecular formula
- C38H56O2S2
- Average molar mass
- 609 g/mol
- Monoisotopic mass
- 608.37217337
Names & identifiers
- Preferred name
- 5,10-Bis-dodecyloxy-1,6-dithia-dicyclopenta[a,f]naphthalene
- IUPAC
- 5,10-didodecoxy-[1]benzothiolo[5,4-e][1]benzothiole
Names & synonyms
SCHEMBL14673245ACWVWRCNNAFUFT-UHFFFAOYSA-N5,10-bis-dodecyloxy-1,6-dithia-dicyclopenta[a,f]naphthalene
Database identifiers
- PubChem CID
- 71245409
Properties
Computed structural properties
- XLogP
- 16.3
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 24
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 617
Related reactions
2 records
Compound notes
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