1-Methoxy-7-(phenylsulfanyl)cyclohept-1-ene
Basic information
- CAS
81401-34-5- Standard SMILES
COC1=CCCCCC1Sc1ccccc1- InChIKey
SRZIYKUQHRSOJZ-UHFFFAOYSA-N- Molecular formula
- C14H18OS
- Average molar mass
- 234.36 g/mol
- Monoisotopic mass
- 234.10783637
Names & identifiers
- Preferred name
- 1-Methoxy-7-(phenylsulfanyl)cyclohept-1-ene
- IUPAC
- 1-methoxy-7-phenylsulfanylcycloheptene
Names & synonyms
81401-34-51-Methoxy-7-(phenylsulfanyl)cyclohept-1-eneDTXSID90840159
Database identifiers
- CAS
81401-34-5- PubChem CID
- 71420985
- DTXSID
DTXSID90840159
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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