Ethyl 3,3-dioxo-3lambda6-thia-6-azabicyclo[3.1.0]hexane-6-carboxylate
Basic information
- CAS
34106-68-8- Standard SMILES
CCOC(=O)N1C2CS(=O)(=O)CC21- InChIKey
MTQDCEYZEPZXIB-UHFFFAOYSA-N- Molecular formula
- C7H11NO4S
- Average molar mass
- 205.23 g/mol
- Monoisotopic mass
- 205.04087901
Names & identifiers
- Preferred name
- Ethyl 3,3-dioxo-3lambda6-thia-6-azabicyclo[3.1.0]hexane-6-carboxylate
- IUPAC
- ethyl 3,3-dioxo-3λ6-thia-6-azabicyclo[3.1.0]hexane-6-carboxylate
Names & synonyms
NSC15099634106-68-8DTXSID30302443NSC-150996Ethyl 3,3-dioxo-3lambda~6~-thia-6-azabicyclo[3.1.0]hexane-6-carboxylate
Database identifiers
- CAS
34106-68-8- PubChem CID
- 289290
- DTXSID
DTXSID30302443
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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