4-amino-3-thiophen-2-ylphenol

C10H9NOS — CID 15907308

IUPAC4-amino-3-thiophen-2-ylphenol
SMILESNc1ccc(O)cc1-c1cccs1
InChIInChI=1S/C10H9NOS/c11-9-4-3-7(12)6-8(9)10-2-1-5-13-10/h1-6,12H,11H2
InChIKeyIREVRMLVENIKAQ-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.70
Rot. Bonds1

About 4-amino-3-thiophen-2-ylphenol

4-amino-3-thiophen-2-ylphenol (PubChem CID 15907308) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is 4-amino-3-thiophen-2-ylphenol.

Molecular Properties

Compound Name4-amino-3-thiophen-2-ylphenol
PubChem CID15907308
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name4-amino-3-thiophen-2-ylphenol
SMILESNc1ccc(O)cc1-c1cccs1
InChIInChI=1S/C10H9NOS/c11-9-4-3-7(12)6-8(9)10-2-1-5-13-10/h1-6,12H,11H2
InChIKeyIREVRMLVENIKAQ-UHFFFAOYSA-N
XLogP2.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-thiophen-2-ylphenol?
The IUPAC name of 4-amino-3-thiophen-2-ylphenol (CID 15907308) is 4-amino-3-thiophen-2-ylphenol.
What is the SMILES notation for 4-amino-3-thiophen-2-ylphenol?
The canonical SMILES for 4-amino-3-thiophen-2-ylphenol is Nc1ccc(O)cc1-c1cccs1.
What is the InChIKey of 4-amino-3-thiophen-2-ylphenol?
The InChIKey is IREVRMLVENIKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c11-9-4-3-7(12)6-8(9)10-2-1-5-13-10/h1-6,12H,11H2.
What are the key properties of 4-amino-3-thiophen-2-ylphenol?
4-amino-3-thiophen-2-ylphenol has a molecular weight of 191.25 g/mol, XLogP of 2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-thiophen-2-ylphenol is sourced from PubChem (CID 15907308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).