Basic information
- CAS
78050-22-3- Standard SMILES
CC1(C)CCCC(C)(C)S1- InChIKey
LLUMFBAGZHZJQK-UHFFFAOYSA-N- Molecular formula
- C9H18S
- Average molar mass
- 158.31 g/mol
- Monoisotopic mass
- 158.11292175
Names & identifiers
- Preferred name
- 2,2,6,6-Tetramethylthiabicyclohexane
- IUPAC
- 2,2,6,6-tetramethylthiane
Names & synonyms
2,2,6,6-tetramethylthiane2,2,6,6-Tetramethylthiabicyclohexane78050-22-32H-Thiopyran, tetrahydro-2,2,6,6-tetramethyl-SCHEMBL9620231DTXSID30338626LLUMFBAGZHZJQK-UHFFFAOYSA-N2,2,6,6-tetramethylthiacyclohexane2,2,6,6-Tetramethyltetrahydro-2H-thiopyran #
Database identifiers
- CAS
78050-22-3- PubChem CID
- 550293
- DTXSID
DTXSID30338626
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 111
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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