Basic information
- CAS
23504-36-1- Standard SMILES
O=S1(=O)C2CCCC1(Cl)CCC2- InChIKey
UOLCEMNGHMNNEW-UHFFFAOYSA-N- Molecular formula
- C8H13ClO2S
- Average molar mass
- 208.71 g/mol
- Monoisotopic mass
- 208.0324785
Names & identifiers
- Preferred name
- 1-Chloro-9-thiabicyclo[3.3.1]nonane 9,9-dioxide
- IUPAC
- 1-chloro-9λ6-thiabicyclo[3.3.1]nonane 9,9-dioxide
- English name
- 9-Thiabicyclo[3.3.1]nonane,1-chloro-, 9,9-dioxide
- Molecular formula
- C8H13ClO2S
- Molecular weight
- 208.70562
Names & synonyms
1-chloro-9-thiabicyclo[3.3.1]nonane 9,9-dioxide23504-36-1NSC135304DTXSID70300185AKOS024329257NSC-1353041-Chloro-9lambda~6~-thiabicyclo[3.3.1]nonane-9,9-dione9-Thiabicyclo[3.3.1]nonane,1-chloro-, 9,9-dioxide
Database identifiers
- CAS
23504-36-1- PubChem CID
- 282134
- DTXSID
DTXSID70300185
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 268
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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