Dimethyl 1,3,6-trimethyl-8-thia-2-azabicyclo[3.2.1]oct-3-ene-4,7-dicarboxylate
Basic information
- CAS
69891-55-0- Standard SMILES
COC(=O)C1=C(C)NC2(C)SC1C(C)C2C(=O)OC- InChIKey
PFGPLHOPUCWBCK-UHFFFAOYSA-N- Molecular formula
- C13H19NO4S
- Average molar mass
- 285.36 g/mol
- Monoisotopic mass
- 285.10347926
Names & identifiers
- Preferred name
- Dimethyl 1,3,6-trimethyl-8-thia-2-azabicyclo[3.2.1]oct-3-ene-4,7-dicarboxylate
- IUPAC
- dimethyl 1,3,6-trimethyl-8-thia-2-azabicyclo[3.2.1]oct-3-ene-4,7-dicarboxylate
Names & synonyms
69891-55-0NSC328011NSC 328011Dimethyl 1,3,6-trimethyl-8-thia-2-azabicyclo[3.2.1]oct-3-ene-4,7-dicarboxylateDimethyl 1,3,6-trimethyl-8-thia-2-azabicyclo(3.2.1)oct-3-ene-4,7-dicarboxylatedimethyl 3,5,7-trimethyl-8-thia-4-azabicyclo[3.2.1]oct-2-ene-2,6-dicarboxylateDTXSID50990169NSC-328011
Database identifiers
- CAS
69891-55-0- PubChem CID
- 433333
- DTXSID
DTXSID50990169
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 462
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…