Basic information
- CAS
112401-28-2- Standard SMILES
CC1CS(=O)(=O)CC(C)S1(=O)=O- InChIKey
CFJQMGDGBFDFHE-UHFFFAOYSA-N- Molecular formula
- C6H12O4S2
- Average molar mass
- 212.3 g/mol
- Monoisotopic mass
- 212.01770121
Names & identifiers
- Preferred name
- 1,4-Dithiane, 2,6-dimethyl-, 1,1,4,4-tetraoxide
- IUPAC
- 2,6-dimethyl-1,4-dithiane 1,1,4,4-tetraoxide
Names & synonyms
1,4-Dithiane, 2,6-dimethyl-, 1,1,4,4-tetraoxide112401-28-22,6-dimethyl-1,4-dithiane 1,1,4,4-tetraoxideNSC4036832,6-Dimethyl-p-dithiane, 1,1,4,4,-tetroxideDTXSID60323363NSC-4036832,6-Dimethyl-1lambda~6~,4lambda~6~-dithiane-1,1,4,4-tetrone
Database identifiers
- CAS
112401-28-2- PubChem CID
- 345862
- DTXSID
DTXSID60323363
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…