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

C19H18N2OS — CID 136863843

IUPAC1-[(2-propylsulfanylphenyl)diazenyl]naphthalen-2-ol
SMILESCCCSc1ccccc1/N=N/c1c(O)ccc2ccccc12
InChIInChI=1S/C19H18N2OS/c1-2-13-23-18-10-6-5-9-16(18)20-21-19-15-8-4-3-7-14(15)11-12-17(19)22/h3-12,22H,2,13H2,1H3/b21-20+
InChIKeyYYQHFTXUMWEAOE-QZQOTICOSA-N
MW322.43 g/mol
LogP6.46
Rot. Bonds5

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

1-[(2-propylsulfanylphenyl)diazenyl]naphthalen-2-ol (PubChem CID 136863843) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-[(2-propylsulfanylphenyl)diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(2-propylsulfanylphenyl)diazenyl]naphthalen-2-ol
PubChem CID136863843
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name1-[(2-propylsulfanylphenyl)diazenyl]naphthalen-2-ol
SMILESCCCSc1ccccc1/N=N/c1c(O)ccc2ccccc12
InChIInChI=1S/C19H18N2OS/c1-2-13-23-18-10-6-5-9-16(18)20-21-19-15-8-4-3-7-14(15)11-12-17(19)22/h3-12,22H,2,13H2,1H3/b21-20+
InChIKeyYYQHFTXUMWEAOE-QZQOTICOSA-N
XLogP6.46
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.43
LogP ≤ 56.46
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-propylsulfanylphenyl)diazenyl]naphthalen-2-ol?
The IUPAC name of 1-[(2-propylsulfanylphenyl)diazenyl]naphthalen-2-ol (CID 136863843) is 1-[(2-propylsulfanylphenyl)diazenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(2-propylsulfanylphenyl)diazenyl]naphthalen-2-ol?
The canonical SMILES for 1-[(2-propylsulfanylphenyl)diazenyl]naphthalen-2-ol is CCCSc1ccccc1/N=N/c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[(2-propylsulfanylphenyl)diazenyl]naphthalen-2-ol?
The InChIKey is YYQHFTXUMWEAOE-QZQOTICOSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-2-13-23-18-10-6-5-9-16(18)20-21-19-15-8-4-3-7-14(15)11-12-17(19)22/h3-12,22H,2,13H2,1H3/b21-20+.
What are the key properties of 1-[(2-propylsulfanylphenyl)diazenyl]naphthalen-2-ol?
1-[(2-propylsulfanylphenyl)diazenyl]naphthalen-2-ol has a molecular weight of 322.43 g/mol, XLogP of 6.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-propylsulfanylphenyl)diazenyl]naphthalen-2-ol is sourced from PubChem (CID 136863843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).