Basic information
- Standard SMILES
COc1ccc2c(c1)SCC1C2(C)CCC2C(C)(C)CCCC21C- InChIKey
AJUZCQNJNBFOBQ-UHFFFAOYSA-N- Molecular formula
- C22H32OS
- Average molar mass
- 344.6 g/mol
- Monoisotopic mass
- 344.21738681
Names & identifiers
- Preferred name
- 8-Methoxy-1,1,4a,10b-tetramethyl-2,3,4,4b,5,11,12,12a-octahydronaphtho[1,2-c]thiochromene
- IUPAC
- 8-methoxy-1,1,4a,10b-tetramethyl-2,3,4,4b,5,11,12,12a-octahydronaphtho[1,2-c]thiochromene
Database identifiers
- PubChem CID
- 75986871
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 488
Related reactions
2 records
Compound notes
Loading…