1-[(2-ethylsulfanylphenyl)diazenyl]naphthalen-2-ol

C18H16N2OS — CID 136863842

IUPAC1-[(2-ethylsulfanylphenyl)diazenyl]naphthalen-2-ol
SMILESCCSc1ccccc1/N=N/c1c(O)ccc2ccccc12
InChIInChI=1S/C18H16N2OS/c1-2-22-17-10-6-5-9-15(17)19-20-18-14-8-4-3-7-13(14)11-12-16(18)21/h3-12,21H,2H2,1H3/b20-19+
InChIKeyCAELHLACITZEFA-FMQUCBEESA-N
MW308.41 g/mol
LogP6.07
Rot. Bonds4

About 1-[(2-ethylsulfanylphenyl)diazenyl]naphthalen-2-ol

1-[(2-ethylsulfanylphenyl)diazenyl]naphthalen-2-ol (PubChem CID 136863842) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-[(2-ethylsulfanylphenyl)diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(2-ethylsulfanylphenyl)diazenyl]naphthalen-2-ol
PubChem CID136863842
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC Name1-[(2-ethylsulfanylphenyl)diazenyl]naphthalen-2-ol
SMILESCCSc1ccccc1/N=N/c1c(O)ccc2ccccc12
InChIInChI=1S/C18H16N2OS/c1-2-22-17-10-6-5-9-15(17)19-20-18-14-8-4-3-7-13(14)11-12-16(18)21/h3-12,21H,2H2,1H3/b20-19+
InChIKeyCAELHLACITZEFA-FMQUCBEESA-N
XLogP6.07
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.41
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylsulfanylphenyl)diazenyl]naphthalen-2-ol?
The IUPAC name of 1-[(2-ethylsulfanylphenyl)diazenyl]naphthalen-2-ol (CID 136863842) is 1-[(2-ethylsulfanylphenyl)diazenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(2-ethylsulfanylphenyl)diazenyl]naphthalen-2-ol?
The canonical SMILES for 1-[(2-ethylsulfanylphenyl)diazenyl]naphthalen-2-ol is CCSc1ccccc1/N=N/c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[(2-ethylsulfanylphenyl)diazenyl]naphthalen-2-ol?
The InChIKey is CAELHLACITZEFA-FMQUCBEESA-N. The full InChI is InChI=1S/C18H16N2OS/c1-2-22-17-10-6-5-9-15(17)19-20-18-14-8-4-3-7-13(14)11-12-16(18)21/h3-12,21H,2H2,1H3/b20-19+.
What are the key properties of 1-[(2-ethylsulfanylphenyl)diazenyl]naphthalen-2-ol?
1-[(2-ethylsulfanylphenyl)diazenyl]naphthalen-2-ol has a molecular weight of 308.41 g/mol, XLogP of 6.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylsulfanylphenyl)diazenyl]naphthalen-2-ol is sourced from PubChem (CID 136863842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).