Basic information
- CAS
124620-94-6- Standard SMILES
C1CN2CCC1C1(CS1)C2- InChIKey
FTCDQWJZZLQUST-UHFFFAOYSA-N- Molecular formula
- C8H13NS
- Average molar mass
- 155.26 g/mol
- Monoisotopic mass
- 155.07687059
Names & identifiers
- Preferred name
- Spiro[1-azabicyclo[2.2.2]octane-3,2'-thiirane]
- IUPAC
- spiro[1-azabicyclo[2.2.2]octane-3,2'-thiirane]
Names & synonyms
124620-94-6DTXSID601250191Spiro[4-azabicyclo[2.2.2]octane-2,2'-thiirane]Spiro[1-azabicyclo[2.2.2]octane-3,2a(2)-thiirane]
Database identifiers
- CAS
124620-94-6- PubChem CID
- 14719956
- DTXSID
DTXSID601250191
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 163
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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