Basic information
- CAS
55414-84-1- Standard SMILES
O=S1(=O)Oc2c(Cl)cc(Cl)cc2S(=O)(=O)Oc2c(Cl)cc(Cl)cc21- InChIKey
LPCALGORIONHLV-UHFFFAOYSA-N- Molecular formula
- C12H4Cl4O6S2
- Average molar mass
- 450.1 g/mol
- Monoisotopic mass
- 447.820341
Names & identifiers
- Preferred name
- 2,4,8,10-Tetrachlorobenzo[c][1,5,2,6]benzodioxadithiocine 6,6,12,12-tetraoxide
- IUPAC
- 2,4,8,10-tetrachlorobenzo[c][1,5,2,6]benzodioxadithiocine 6,6,12,12-tetraoxide
Names & synonyms
NSC19484155414-84-12,4,8,10-tetrachlorobenzo[c][1,5,2,6]benzodioxadithiocine 6,6,12,12-tetraoxide2,4,8,10-tetrachlorodibenzo[c,g][1,5,2,6]dioxadithiocine 6,6,12,12-tetraoxideDTXSID30307731LPCALGORIONHLV-UHFFFAOYSA-NNSC-194841dibenzo[c,g][1,5,2,6]dioxadithiocin, 2,4,8,10-tetrachloro-, 6,6,12,12-tetraoxide2,4,8,10-Tetrachloro-6H,12H-6lambda~6~,12lambda~6~-dibenzo[c,g][1,5,2,6]dioxadithiocine-6,6,12,12-tetrone
Database identifiers
- CAS
55414-84-1- PubChem CID
- 304014
- DTXSID
DTXSID30307731
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 627
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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