3-(Ethylimino)-6,8-dimethyl-2,4-dithia-6,8-diazabicyclo[3.2.2]nonane-7,9-dione
Basic information
- CAS
81411-31-6- Standard SMILES
CCN=C1SC2C(=O)N(C)C(S1)C(=O)N2C- InChIKey
GKYGKYMNADONIY-UHFFFAOYSA-N- Molecular formula
- C9H13N3O2S2
- Average molar mass
- 259.4 g/mol
- Monoisotopic mass
- 259.04491901
Names & identifiers
- Preferred name
- 3-(Ethylimino)-6,8-dimethyl-2,4-dithia-6,8-diazabicyclo[3.2.2]nonane-7,9-dione
- IUPAC
- 3-ethylimino-6,8-dimethyl-2,4-dithia-6,8-diazabicyclo[3.2.2]nonane-7,9-dione
Names & synonyms
81411-31-6NSC262143NSC 2621433-(Ethylimino)-6,8-dimethyl-2,4-dithia-6,8-diazabicyclo[3.2.2]nonane-7,9-dione3-(Ethylimino)-6,8-dimethyl-2,4-dithia-6,8-diazabicyclo(3.2.2)nonane-7,9-dione3-ethylimino-7,9-dimethyl-2,4-dithia-7,9-diazabicyclo[3.2.2]nonane-6,8-dioneDTXSID701001975NSC-262143DS-0048203-ethylimino-6,8-dimethyl-2,4-dithia-6,8-diazabicyclo[3.2.2]nonane-7,9-dione
Database identifiers
- CAS
81411-31-6- PubChem CID
- 429669
- DTXSID
DTXSID701001975
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 342
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Compound notes
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