2-amino-4-(4-iodophenyl)sulfanylphenol

C12H10INOS — CID 70534793

IUPAC2-amino-4-(4-iodophenyl)sulfanylphenol
SMILESNc1cc(Sc2ccc(I)cc2)ccc1O
InChIInChI=1S/C12H10INOS/c13-8-1-3-9(4-2-8)16-10-5-6-12(15)11(14)7-10/h1-7,15H,14H2
InChIKeyNIOWNQCLTQEIEB-UHFFFAOYSA-N
MW343.19 g/mol
LogP3.73
Rot. Bonds2

About 2-amino-4-(4-iodophenyl)sulfanylphenol

2-amino-4-(4-iodophenyl)sulfanylphenol (PubChem CID 70534793) has the molecular formula C12H10INOS and a molecular weight of 343.19 g/mol. Its IUPAC name is 2-amino-4-(4-iodophenyl)sulfanylphenol.

Molecular Properties

Compound Name2-amino-4-(4-iodophenyl)sulfanylphenol
PubChem CID70534793
Molecular FormulaC12H10INOS
Molecular Weight343.19 g/mol
Exact Mass342.95
IUPAC Name2-amino-4-(4-iodophenyl)sulfanylphenol
SMILESNc1cc(Sc2ccc(I)cc2)ccc1O
InChIInChI=1S/C12H10INOS/c13-8-1-3-9(4-2-8)16-10-5-6-12(15)11(14)7-10/h1-7,15H,14H2
InChIKeyNIOWNQCLTQEIEB-UHFFFAOYSA-N
XLogP3.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.19
LogP ≤ 53.73
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-amino-4-(4-iodophenyl)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 2-amino-4-(4-iodophenyl)sulfanylphenol?
The IUPAC name of 2-amino-4-(4-iodophenyl)sulfanylphenol (CID 70534793) is 2-amino-4-(4-iodophenyl)sulfanylphenol.
What is the SMILES notation for 2-amino-4-(4-iodophenyl)sulfanylphenol?
The canonical SMILES for 2-amino-4-(4-iodophenyl)sulfanylphenol is Nc1cc(Sc2ccc(I)cc2)ccc1O.
What is the InChIKey of 2-amino-4-(4-iodophenyl)sulfanylphenol?
The InChIKey is NIOWNQCLTQEIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10INOS/c13-8-1-3-9(4-2-8)16-10-5-6-12(15)11(14)7-10/h1-7,15H,14H2.
What are the key properties of 2-amino-4-(4-iodophenyl)sulfanylphenol?
2-amino-4-(4-iodophenyl)sulfanylphenol has a molecular weight of 343.19 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-iodophenyl)sulfanylphenol is sourced from PubChem (CID 70534793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).