Basic information
- CAS
2939-53-9- Standard SMILES
c1ccc2sc(SSN3CC4CCC(CC4)C3)nc2c1- InChIKey
JDCLEUYQOSXQCG-UHFFFAOYSA-N- Molecular formula
- C15H18N2S3
- Average molar mass
- 322.5 g/mol
- Monoisotopic mass
- 322.0632121
Names & identifiers
- Preferred name
- 2-(3-Azabicyclo[3.2.2]nonan-3-yldisulfanyl)-1,3-benzothiazole
- IUPAC
- 2-(3-azabicyclo[3.2.2]nonan-3-yldisulfanyl)-1,3-benzothiazole
Names & synonyms
2939-53-9NSC2611412-(3-azabicyclo[3.2.2]nonan-3-yldisulfanyl)-1,3-benzothiazoleDTXSID20312753NSC-261141DS-0047493-Azabicyclo[3.2.2]nonane, 3-(2-benzothiazolyldithio)-2-[(3-Azabicyclo[3.2.2]nonan-3-yl)disulfanyl]-1,3-benzothiazole3-AZABICYCLO[3.2.2]NONANE,3-(2-BENZOTHIAZOLYLDITHIO)-
Database identifiers
- CAS
2939-53-9- PubChem CID
- 319211
- DTXSID
DTXSID20312753
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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