3-(1,3-thiazol-2-yldiazenyl)oxyphenol

C9H7N3O2S — CID 91328908

IUPAC3-(1,3-thiazol-2-yldiazenyl)oxyphenol
SMILESOc1cccc(ON=Nc2nccs2)c1
InChIInChI=1S/C9H7N3O2S/c13-7-2-1-3-8(6-7)14-12-11-9-10-4-5-15-9/h1-6,13H
InChIKeyRJOWFVOUNGXYJA-UHFFFAOYSA-N
MW221.24 g/mol
LogP2.93
Rot. Bonds3

About 3-(1,3-thiazol-2-yldiazenyl)oxyphenol

3-(1,3-thiazol-2-yldiazenyl)oxyphenol (PubChem CID 91328908) has the molecular formula C9H7N3O2S and a molecular weight of 221.24 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yldiazenyl)oxyphenol.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yldiazenyl)oxyphenol
PubChem CID91328908
Molecular FormulaC9H7N3O2S
Molecular Weight221.24 g/mol
Exact Mass221.03
IUPAC Name3-(1,3-thiazol-2-yldiazenyl)oxyphenol
SMILESOc1cccc(ON=Nc2nccs2)c1
InChIInChI=1S/C9H7N3O2S/c13-7-2-1-3-8(6-7)14-12-11-9-10-4-5-15-9/h1-6,13H
InChIKeyRJOWFVOUNGXYJA-UHFFFAOYSA-N
XLogP2.93
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-yldiazenyl)oxyphenol?
The IUPAC name of 3-(1,3-thiazol-2-yldiazenyl)oxyphenol (CID 91328908) is 3-(1,3-thiazol-2-yldiazenyl)oxyphenol.
What is the SMILES notation for 3-(1,3-thiazol-2-yldiazenyl)oxyphenol?
The canonical SMILES for 3-(1,3-thiazol-2-yldiazenyl)oxyphenol is Oc1cccc(ON=Nc2nccs2)c1.
What is the InChIKey of 3-(1,3-thiazol-2-yldiazenyl)oxyphenol?
The InChIKey is RJOWFVOUNGXYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2S/c13-7-2-1-3-8(6-7)14-12-11-9-10-4-5-15-9/h1-6,13H.
What are the key properties of 3-(1,3-thiazol-2-yldiazenyl)oxyphenol?
3-(1,3-thiazol-2-yldiazenyl)oxyphenol has a molecular weight of 221.24 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-yldiazenyl)oxyphenol is sourced from PubChem (CID 91328908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).