Basic information
- CAS
37918-35-7- Standard SMILES
O=C1CCC2SC1CCC2=O- InChIKey
ZFSYGTMUGOONON-UHFFFAOYSA-N- Molecular formula
- C8H10O2S
- Average molar mass
- 170.23 g/mol
- Monoisotopic mass
- 170.04015073
Names & identifiers
- Preferred name
- 9-Thiabicyclo(3.3.1)nonane-2,6-dione
- IUPAC
- 9-thiabicyclo[3.3.1]nonane-2,6-dione
Names & synonyms
9-Thiabicyclo[3.3.1]nonane-2,6-dione37918-35-7DTXSID803278689-Thiabicyclo(3.3.1)nonane-2,6-dioneRefChem:313308DTXCID50278979ZFSYGTMUGOONON-UHFFFAOYSA-NNSC697943CHEMBL1969021NSC-697943NCI60_034999
Database identifiers
- CAS
37918-35-7- PubChem CID
- 394470
- DTXSID
DTXSID80327868- ChEMBL
CHEMBL1969021- Nikkaji
- J480.636K
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…