1,4,5,7-Tetramethyl-2,3-dithia-5,7-diazabicyclo(2.2.2)octane-6,8-dione

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Basic information

CAS: 53338-36-6
Standard SMILES: CN1C(=O)C2(C)SSC1(C)C(=O)N2C
InChIKey: JNACNFRANQECFU-UHFFFAOYSA-N
Molecular formula: C8H12N2O2S2
Average molar mass: 232.3 g/mol
Monoisotopic mass: 232.03401998

Names & identifiers

Preferred name: 1,4,5,7-Tetramethyl-2,3-dithia-5,7-diazabicyclo(2.2.2)octane-6,8-dione
IUPAC: 1,4,5,7-tetramethyl-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione

Names & synonyms

53338-36-6NSC278317NSC 2783171,4,5,7-Tetramethyl-2,3-dithia-5,7-diazabicyclo(2.2.2)octane-6,8-dione1,4,5,7-Tetramethyl-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione1,4,6,8-tetramethyl-2,3-dithia-6,8-diazabicyclo[2.2.2]octane-5,7-dioneSCHEMBL17971323DTXSID30967950NSC-278317

Database identifiers

CAS: 53338-36-6
PubChem CID: 322186
DTXSID: DTXSID30967950

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 91.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 303

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Compound notes

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