2H-Thiopyran, 4-(1,1-dimethylethyl)tetrahydro-
Basic information
- CAS
768-30-9- Standard SMILES
CC(C)(C)C1CCSCC1- InChIKey
XOPHRBMUUMFZOU-UHFFFAOYSA-N- Molecular formula
- C9H18S
- Average molar mass
- 158.31 g/mol
- Monoisotopic mass
- 158.11292175
Names & identifiers
- Preferred name
- 2H-Thiopyran, 4-(1,1-dimethylethyl)tetrahydro-
- IUPAC
- 4-tert-butylthiane
Names & synonyms
2H-Thiopyran, 4-(1,1-dimethylethyl)tetrahydro-768-30-9DTXSID00329728RefChem:269278DTXCID602808264-tert-butylthiane4-t-butylthiacyclohexaneSCHEMBL12314710
Database identifiers
- CAS
768-30-9- PubChem CID
- 423307
- DTXSID
DTXSID00329728- Nikkaji
- J3.345.829K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 95.8
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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