Basic information
- Standard SMILES
CC12CCC3(CC1=CCCC2=O)SCCS3- InChIKey
MRBQQICKYSHUMG-UHFFFAOYSA-N- Molecular formula
- C13H18OS2
- Average molar mass
- 254.4 g/mol
Names & identifiers
- Preferred name
- 4a'-methyl-(4'H,5'H,7'H)-spiro[1,3-dithiolane-2,2'-naphthalen]-5'(6'H)-one
- IUPAC
- 8'a-methylspiro[1,3-dithiolane-2,6'-3,5,7,8-tetrahydro-2H-naphthalene]-1'-one
Names & synonyms
SCHEMBL1881229MRBQQICKYSHUMG-UHFFFAOYSA-N4a'-methyl-(4'H,5'H,7'H)-spiro[1,3-dithiolane-2,2'-naphthalen]-5'(6'H)-one
Database identifiers
- PubChem CID
- 87306352
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 355
Related reactions
3 records
Compound notes
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