4-(4-aminophenyl)sulfanylphenol

C24H22N2O2S2 — CID 139119818

IUPAC4-(4-aminophenyl)sulfanylphenol
SMILESNc1ccc(Sc2ccc(O)cc2)cc1.Nc1ccc(Sc2ccc(O)cc2)cc1
InChIInChI=1S/2C12H11NOS/c2*13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h2*1-8,14H,13H2
InChIKeyYZLMHVKNUHWHHV-UHFFFAOYSA-N
MW434.59 g/mol
LogP6.25
Rot. Bonds4

About 4-(4-aminophenyl)sulfanylphenol

4-(4-aminophenyl)sulfanylphenol (PubChem CID 139119818) has the molecular formula C24H22N2O2S2 and a molecular weight of 434.59 g/mol. Its IUPAC name is 4-(4-aminophenyl)sulfanylphenol.

Molecular Properties

Compound Name4-(4-aminophenyl)sulfanylphenol
PubChem CID139119818
Molecular FormulaC24H22N2O2S2
Molecular Weight434.59 g/mol
Exact Mass434.11
IUPAC Name4-(4-aminophenyl)sulfanylphenol
SMILESNc1ccc(Sc2ccc(O)cc2)cc1.Nc1ccc(Sc2ccc(O)cc2)cc1
InChIInChI=1S/2C12H11NOS/c2*13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h2*1-8,14H,13H2
InChIKeyYZLMHVKNUHWHHV-UHFFFAOYSA-N
XLogP6.25
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.59
LogP ≤ 56.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(4-aminophenyl)sulfanylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)sulfanylphenol?
The IUPAC name of 4-(4-aminophenyl)sulfanylphenol (CID 139119818) is 4-(4-aminophenyl)sulfanylphenol.
What is the SMILES notation for 4-(4-aminophenyl)sulfanylphenol?
The canonical SMILES for 4-(4-aminophenyl)sulfanylphenol is Nc1ccc(Sc2ccc(O)cc2)cc1.Nc1ccc(Sc2ccc(O)cc2)cc1.
What is the InChIKey of 4-(4-aminophenyl)sulfanylphenol?
The InChIKey is YZLMHVKNUHWHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H11NOS/c2*13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h2*1-8,14H,13H2.
What are the key properties of 4-(4-aminophenyl)sulfanylphenol?
4-(4-aminophenyl)sulfanylphenol has a molecular weight of 434.59 g/mol, XLogP of 6.25, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)sulfanylphenol is sourced from PubChem (CID 139119818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).