4-benzyl-3,4-dihydro-2H-thiopyran
Basic information
- CAS
55593-58-3- Standard SMILES
C1=CC(Cc2ccccc2)CCS1- InChIKey
CVFVNSMCXYXANU-UHFFFAOYSA-N- Molecular formula
- C12H14S
- Average molar mass
- 190.31 g/mol
- Monoisotopic mass
- 190.08162162
Names & identifiers
- Preferred name
- 4-benzyl-3,4-dihydro-2H-thiopyran
- IUPAC
- 4-benzyl-3,4-dihydro-2H-thiopyran
Names & synonyms
4-benzyl-3,4-dihydro-2H-thiopyran55593-58-3DTXSID80787584
Database identifiers
- CAS
55593-58-3- PubChem CID
- 71364089
- DTXSID
DTXSID80787584
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 168
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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