2-phenyldiazenyl-1-benzothiophen-3-ol

C14H10N2OS — CID 917269

IUPAC2-phenyldiazenyl-1-benzothiophen-3-ol
SMILESOc1c(/N=N/c2ccccc2)sc2ccccc12
InChIInChI=1S/C14H10N2OS/c17-13-11-8-4-5-9-12(11)18-14(13)16-15-10-6-2-1-3-7-10/h1-9,17H/b16-15+
InChIKeyNINPOLKSNFCLDI-FOCLMDBBSA-N
MW254.31 g/mol
LogP5.02
Rot. Bonds2

About 2-phenyldiazenyl-1-benzothiophen-3-ol

2-phenyldiazenyl-1-benzothiophen-3-ol (PubChem CID 917269) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-phenyldiazenyl-1-benzothiophen-3-ol.

Molecular Properties

Compound Name2-phenyldiazenyl-1-benzothiophen-3-ol
PubChem CID917269
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC Name2-phenyldiazenyl-1-benzothiophen-3-ol
SMILESOc1c(/N=N/c2ccccc2)sc2ccccc12
InChIInChI=1S/C14H10N2OS/c17-13-11-8-4-5-9-12(11)18-14(13)16-15-10-6-2-1-3-7-10/h1-9,17H/b16-15+
InChIKeyNINPOLKSNFCLDI-FOCLMDBBSA-N
XLogP5.02
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.31
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyldiazenyl-1-benzothiophen-3-ol?
The IUPAC name of 2-phenyldiazenyl-1-benzothiophen-3-ol (CID 917269) is 2-phenyldiazenyl-1-benzothiophen-3-ol.
What is the SMILES notation for 2-phenyldiazenyl-1-benzothiophen-3-ol?
The canonical SMILES for 2-phenyldiazenyl-1-benzothiophen-3-ol is Oc1c(/N=N/c2ccccc2)sc2ccccc12.
What is the InChIKey of 2-phenyldiazenyl-1-benzothiophen-3-ol?
The InChIKey is NINPOLKSNFCLDI-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H10N2OS/c17-13-11-8-4-5-9-12(11)18-14(13)16-15-10-6-2-1-3-7-10/h1-9,17H/b16-15+.
What are the key properties of 2-phenyldiazenyl-1-benzothiophen-3-ol?
2-phenyldiazenyl-1-benzothiophen-3-ol has a molecular weight of 254.31 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyldiazenyl-1-benzothiophen-3-ol is sourced from PubChem (CID 917269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).