1,2-Dithia-6,9-diazacyclododecane-5,10-dione
Basic information
- CAS
264193-20-6- Standard SMILES
O=C1CCSSCCC(=O)NCCN1- InChIKey
SQTJPYWWGNNINA-UHFFFAOYSA-N- Molecular formula
- C8H14N2O2S2
- Average molar mass
- 234.3 g/mol
- Monoisotopic mass
- 234.04967004
Names & identifiers
- Preferred name
- 1,2-Dithia-6,9-diazacyclododecane-5,10-dione
- IUPAC
- 1,2-dithia-6,9-diazacyclododecane-5,10-dione
Names & synonyms
1,2-Dithia-6,9-diazacyclododecane-5,10-dioneNSC638705Ethylene dithiodipropionamideCHEMBL2002889DTXSID001258428NSC670030NSC-638705NSC-670030264193-20-6NCI60_024531
Database identifiers
- CAS
264193-20-6- PubChem CID
- 368253
- DTXSID
DTXSID001258428- ChEMBL
CHEMBL2002889
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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