Basic information
- Standard SMILES
ON=C1CC2=CCC(CC2)S1- InChIKey
HTXPBIRZJKZANO-UHFFFAOYSA-N- Molecular formula
- C8H11NOS
- Average molar mass
- 169.25 g/mol
- Monoisotopic mass
- 169.05613515
Names & identifiers
- Preferred name
- 2-Thiabicyclo[3.2.2]non-5-en-3-one oxime
- IUPAC
- N-(2-thiabicyclo[3.2.2]non-5-en-3-ylidene)hydroxylamine
Names & synonyms
SCHEMBL10918993HTXPBIRZJKZANO-UHFFFAOYSA-N2-Thiabicyclo[3.2.2]non-5-en-3-one oxime
Database identifiers
- PubChem CID
- 86739166
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 222
Related reactions
2 records
Compound notes
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