1-(3-diazenylthiophen-2-yl)ethenol

C6H6N2OS — CID 90147211

IUPAC1-(3-diazenylthiophen-2-yl)ethenol
SMILES[H]/N=N/c1ccsc1C(=C)O
InChIInChI=1S/C6H6N2OS/c1-4(9)6-5(8-7)2-3-10-6/h2-3,7,9H,1H2/b8-7+
InChIKeyWLMXSHHQRRRKCO-BQYQJAHWSA-N
MW154.19 g/mol
LogP2.94
Rot. Bonds2

About 1-(3-diazenylthiophen-2-yl)ethenol

1-(3-diazenylthiophen-2-yl)ethenol (PubChem CID 90147211) has the molecular formula C6H6N2OS and a molecular weight of 154.19 g/mol. Its IUPAC name is 1-(3-diazenylthiophen-2-yl)ethenol.

Molecular Properties

Compound Name1-(3-diazenylthiophen-2-yl)ethenol
PubChem CID90147211
Molecular FormulaC6H6N2OS
Molecular Weight154.19 g/mol
Exact Mass154.02
IUPAC Name1-(3-diazenylthiophen-2-yl)ethenol
SMILES[H]/N=N/c1ccsc1C(=C)O
InChIInChI=1S/C6H6N2OS/c1-4(9)6-5(8-7)2-3-10-6/h2-3,7,9H,1H2/b8-7+
InChIKeyWLMXSHHQRRRKCO-BQYQJAHWSA-N
XLogP2.94
TPSA56.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-diazenylthiophen-2-yl)ethenol?
The IUPAC name of 1-(3-diazenylthiophen-2-yl)ethenol (CID 90147211) is 1-(3-diazenylthiophen-2-yl)ethenol.
What is the SMILES notation for 1-(3-diazenylthiophen-2-yl)ethenol?
The canonical SMILES for 1-(3-diazenylthiophen-2-yl)ethenol is [H]/N=N/c1ccsc1C(=C)O.
What is the InChIKey of 1-(3-diazenylthiophen-2-yl)ethenol?
The InChIKey is WLMXSHHQRRRKCO-BQYQJAHWSA-N. The full InChI is InChI=1S/C6H6N2OS/c1-4(9)6-5(8-7)2-3-10-6/h2-3,7,9H,1H2/b8-7+.
What are the key properties of 1-(3-diazenylthiophen-2-yl)ethenol?
1-(3-diazenylthiophen-2-yl)ethenol has a molecular weight of 154.19 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-diazenylthiophen-2-yl)ethenol is sourced from PubChem (CID 90147211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).