Basic information
- CAS
25286-76-4- Standard SMILES
O=C1CSSCC(=O)NCCN1- InChIKey
ONKMKZLQXHADOR-UHFFFAOYSA-N- Molecular formula
- C6H10N2O2S2
- Average molar mass
- 206.3 g/mol
- Monoisotopic mass
- 206.01836991
Names & identifiers
- Preferred name
- 1,2,5,8-Dithiadiazecane-4,9-dione
- IUPAC
- 1,2,5,8-dithiadiazecane-4,9-dione
Names & synonyms
25286-76-41,2,5,8-dithiadiazecane-4,9-dioneNSC2094201,2,5,8-Dithiadiazecine-4,9(3H,10H)-dione, tetrahydro-DTXSID60308791NSC209419NSC-209419NSC-209420
Database identifiers
- CAS
25286-76-4- PubChem CID
- 308307
- DTXSID
DTXSID60308791
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 166
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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