Thiepin, 2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-1,1-dioxide
Basic information
- CAS
86596-79-4- Standard SMILES
CC1(C)C=CC(C)(C)CS(=O)(=O)C1- InChIKey
IECOJFJQIZQAFO-UHFFFAOYSA-N- Molecular formula
- C10H18O2S
- Average molar mass
- 202.32 g/mol
- Monoisotopic mass
- 202.10275099
Names & identifiers
- Preferred name
- Thiepin, 2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-1,1-dioxide
- IUPAC
- 3,3,6,6-tetramethyl-2,7-dihydrothiepine 1,1-dioxide
- English name
- Thiepin, 2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-1,1-dioxide
- Molecular formula
- C10H18O2S
- Molecular weight
- 202.31
Names & synonyms
Thiepin, 2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-1,1-dioxide86596-79-4DTXSID302356862,3,6,7-Tetrahydro-3,3,6,6-tetramethylthiepin-1,1-dioxide3,3,6,6-Tetramethyl-2,3,6,7-tetrahydro-1H-1lambda~6~-thiepine-1,1-dione
Database identifiers
- CAS
86596-79-4- PubChem CID
- 145111
- DTXSID
DTXSID30235686
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 289
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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