Basic information
- CAS
61770-41-0- Standard SMILES
O=S1(=O)C=CCC2C3CC(c4ccccc43)C21- InChIKey
UHDJPDNXNGWWOV-UHFFFAOYSA-N- Molecular formula
- C14H14O2S
- Average molar mass
- 246.33 g/mol
- Monoisotopic mass
- 246.07145086
Names & identifiers
- Preferred name
- 3lambda6-Thiatetracyclo[6.6.1.02,7.09,14]pentadeca-4,9,11,13-tetraene 3,3-dioxide
- IUPAC
- 3λ6-thiatetracyclo[6.6.1.02,7.09,14]pentadeca-4,9,11,13-tetraene 3,3-dioxide
Names & synonyms
NSC27340861770-41-0DTXSID20313624NSC-2734084a,5,10,10a-Tetrahydro-5,10-methano-1lambda~6~-naphtho[2,3-b]thiopyran-1,1(4H)-dione
Database identifiers
- CAS
61770-41-0- PubChem CID
- 321561
- DTXSID
DTXSID20313624
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 459
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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