3,3,6,6-Tetramethyl-4,5-thiepanedione 1,1-dioxide
Basic information
- CAS
50462-40-3- Standard SMILES
CC1(C)CS(=O)(=O)CC(C)(C)C(=O)C1=O- InChIKey
IPNVHWMQWHXLGZ-UHFFFAOYSA-N- Molecular formula
- C10H16O4S
- Average molar mass
- 232.3 g/mol
- Monoisotopic mass
- 232.07693016
Names & identifiers
- Preferred name
- 3,3,6,6-Tetramethyl-4,5-thiepanedione 1,1-dioxide
- IUPAC
- 3,3,6,6-tetramethyl-1,1-dioxothiepane-4,5-dione
Names & synonyms
NSC66668650462-40-33,3,6,6-Tetramethyl-4,5-thiepanedione 1,1-dioxideSCHEMBL10978677DTXSID20964695NSC147618NSC-147618NSC-6666863,3,6,6-tetramethyl-1,1-dioxo-thiepane-4,5-dione3,3,6,6-Tetramethyl-1lambda~6~-thiepane-1,1,4,5-tetrone
Database identifiers
- CAS
50462-40-3- PubChem CID
- 287563
- DTXSID
DTXSID20964695
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 375
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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