Basic information
- CAS
29294-06-2- Standard SMILES
O=S1(=O)C2C=CCCC1C=C2- InChIKey
ISCBLJUYGMLOIX-UHFFFAOYSA-N- Molecular formula
- C8H10O2S
- Average molar mass
- 170.23 g/mol
- Monoisotopic mass
- 170.04015073
Names & identifiers
- Preferred name
- 9-Thiabicyclo[4.2.1]nona-2,7-diene 9,9-dioxide
- IUPAC
- 9λ6-thiabicyclo[4.2.1]nona-2,7-diene 9,9-dioxide
Names & synonyms
NSC25492629294-06-29-THIABICYCLO[4.2.1]NONA-2,7-DIENE 9,9-DIOXIDEDTXSID00330430AKOS024321724NSC-2549269lambda~6~-Thiabicyclo[4.2.1]nona-2,7-diene-9,9-dione
Database identifiers
- CAS
29294-06-2- PubChem CID
- 429404
- DTXSID
DTXSID00330430
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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