2,2-Dimethyl-4-[(phenylsulfanyl)ethynyl]-3,6-dihydro-2H-pyran
Basic information
- CAS
61464-07-1- Standard SMILES
CC1(C)CC(C#CSc2ccccc2)=CCO1- InChIKey
HRFHLTQSXYHNFS-UHFFFAOYSA-N- Molecular formula
- C15H16OS
- Average molar mass
- 244.4 g/mol
- Monoisotopic mass
- 244.0921863
Names & identifiers
- Preferred name
- 2,2-Dimethyl-4-[(phenylsulfanyl)ethynyl]-3,6-dihydro-2H-pyran
- IUPAC
- 6,6-dimethyl-4-(2-phenylsulfanylethynyl)-2,5-dihydropyran
Names & synonyms
61464-07-1DTXSID105594782,2-Dimethyl-4-[(phenylsulfanyl)ethynyl]-3,6-dihydro-2H-pyran
Database identifiers
- CAS
61464-07-1- PubChem CID
- 14367461
- DTXSID
DTXSID10559478
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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