Basic information
- CAS
95309-80-1- Standard SMILES
c1ccc(COc2ccc(SCc3ccccc3)cc2)cc1- InChIKey
CXLRPSFDROKOCB-UHFFFAOYSA-N- Molecular formula
- C20H18OS
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.10783637
Names & identifiers
- Preferred name
- Benzene, 1-(penylmethoxy)-4-((phenylmethyl)thio)-
- IUPAC
- 1-benzylsulfanyl-4-phenylmethoxybenzene
Names & synonyms
95309-80-11-(Phenylmethoxy)-4-[(phenylmethyl)thio]benzeneBenzene, 1-(penylmethoxy)-4-((phenylmethyl)thio)-SCHEMBL339178DTXSID902418091-(Benzyloxy)-4-(benzylsulfanyl)benzene
Database identifiers
- CAS
95309-80-1- PubChem CID
- 178773
- DTXSID
DTXSID90241809
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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