Basic information
- CAS
60028-31-1- Standard SMILES
O=S1(=O)C2CN3CN1CN(C2)S3(=O)=O- InChIKey
MRMOEWPKPSKSDA-UHFFFAOYSA-N- Molecular formula
- C5H9N3O4S2
- Average molar mass
- 239.3 g/mol
- Monoisotopic mass
- 239.00344812
Names & identifiers
- Preferred name
- 2,6-Dithia-1,3,7-triazaadamantane, 2,2,6,6-tetraoxide
- IUPAC
- 2λ6,6λ6-dithia-1,3,5-triazatricyclo[3.3.1.13,7]decane 2,2,6,6-tetraoxide
Names & synonyms
2,6-Dithia-1,3,7-triazaadamantane, 2,2,6,6-tetraoxide60028-31-12,2,6,6-Tetraoxide-2,6-dithia-1,3,7-triazaadamantaneDTXSID10208757RefChem:248601DTXCID601312482lambda~6~,6lambda~6~-Dithia-1,3,5-triazatricyclo[3.3.1.1~3,7~]decane-2,2,6,6-tetrone
Database identifiers
- CAS
60028-31-1- PubChem CID
- 64412
- DTXSID
DTXSID10208757
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 450
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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