4-Isothiocyanato-4'-pentyl-1,1'-biphenyl
Basic information
- CAS
61592-86-7- Standard SMILES
CCCCCc1ccc(-c2ccc(N=C=S)cc2)cc1- InChIKey
CVPRIERKONBZQY-UHFFFAOYSA-N- Molecular formula
- C18H19NS
- Average molar mass
- 281.4 g/mol
- Monoisotopic mass
- 281.12382078
Names & identifiers
- Preferred name
- 4-Isothiocyanato-4'-pentyl-1,1'-biphenyl
- IUPAC
- 1-isothiocyanato-4-(4-pentylphenyl)benzene
Names & synonyms
61592-86-74-ISOTHIOCYANATO-4'-PENTYL-1,1'-BIPHENYLSCHEMBL9347327DTXSID906018284'-Isothiocyanato-4-pentyl-biphenyl4'-pentyl-4-isothiocyanato-1,1'-biphenyl
Database identifiers
- CAS
61592-86-7- PubChem CID
- 20031625
- DTXSID
DTXSID90601828- Nikkaji
- J1.168.166B
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 305
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical diffusion
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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