Basic information
- CAS
7248-00-2- Standard SMILES
CC1CCC(C)S(=O)S1- InChIKey
OWKLFWLTKPDGGO-UHFFFAOYSA-N- Molecular formula
- C6H12OS2
- Average molar mass
- 164.3 g/mol
- Monoisotopic mass
- 164.03295735
Names & identifiers
- Preferred name
- 3,6-Dimethyl-1,2-dithiane 1-oxide
- IUPAC
- 3,6-dimethyldithiane 1-oxide
Names & synonyms
7248-00-23,6-dimethyl-1,2-dithiane 1-oxideNSC67114DTXSID00290161NSC-671143,6-Dimethyl-1lambda~4~,2-dithian-1-one
Database identifiers
- CAS
7248-00-2- PubChem CID
- 249129
- DTXSID
DTXSID00290161
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 124
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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