2-amino-5-thiophen-3-ylphenol;hydrochloride

C10H10ClNOS — CID 68526795

IUPAC2-amino-5-thiophen-3-ylphenol;hydrochloride
SMILESCl.Nc1ccc(-c2ccsc2)cc1O
InChIInChI=1S/C10H9NOS.ClH/c11-9-2-1-7(5-10(9)12)8-3-4-13-6-8;/h1-6,12H,11H2;1H
InChIKeyLVGOUNWWNUFXIQ-UHFFFAOYSA-N
MW227.72 g/mol
LogP3.12
Rot. Bonds1

About 2-amino-5-thiophen-3-ylphenol;hydrochloride

2-amino-5-thiophen-3-ylphenol;hydrochloride (PubChem CID 68526795) has the molecular formula C10H10ClNOS and a molecular weight of 227.72 g/mol. Its IUPAC name is 2-amino-5-thiophen-3-ylphenol;hydrochloride.

Molecular Properties

Compound Name2-amino-5-thiophen-3-ylphenol;hydrochloride
PubChem CID68526795
Molecular FormulaC10H10ClNOS
Molecular Weight227.72 g/mol
Exact Mass227.02
IUPAC Name2-amino-5-thiophen-3-ylphenol;hydrochloride
SMILESCl.Nc1ccc(-c2ccsc2)cc1O
InChIInChI=1S/C10H9NOS.ClH/c11-9-2-1-7(5-10(9)12)8-3-4-13-6-8;/h1-6,12H,11H2;1H
InChIKeyLVGOUNWWNUFXIQ-UHFFFAOYSA-N
XLogP3.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.72
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-thiophen-3-ylphenol;hydrochloride?
The IUPAC name of 2-amino-5-thiophen-3-ylphenol;hydrochloride (CID 68526795) is 2-amino-5-thiophen-3-ylphenol;hydrochloride.
What is the SMILES notation for 2-amino-5-thiophen-3-ylphenol;hydrochloride?
The canonical SMILES for 2-amino-5-thiophen-3-ylphenol;hydrochloride is Cl.Nc1ccc(-c2ccsc2)cc1O.
What is the InChIKey of 2-amino-5-thiophen-3-ylphenol;hydrochloride?
The InChIKey is LVGOUNWWNUFXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS.ClH/c11-9-2-1-7(5-10(9)12)8-3-4-13-6-8;/h1-6,12H,11H2;1H.
What are the key properties of 2-amino-5-thiophen-3-ylphenol;hydrochloride?
2-amino-5-thiophen-3-ylphenol;hydrochloride has a molecular weight of 227.72 g/mol, XLogP of 3.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-thiophen-3-ylphenol;hydrochloride is sourced from PubChem (CID 68526795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).