2-[2-[hydroxy(sulfanyl)amino]phenyl]phenol

C12H11NO2S — CID 87134728

IUPAC2-[2-[hydroxy(sulfanyl)amino]phenyl]phenol
SMILESOc1ccccc1-c1ccccc1N(O)S
InChIInChI=1S/C12H11NO2S/c14-12-8-4-2-6-10(12)9-5-1-3-7-11(9)13(15)16/h1-8,14-16H
InChIKeyNSZMYAIDTWEGDD-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.10
Rot. Bonds2

About 2-[2-[hydroxy(sulfanyl)amino]phenyl]phenol

2-[2-[hydroxy(sulfanyl)amino]phenyl]phenol (PubChem CID 87134728) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-[2-[hydroxy(sulfanyl)amino]phenyl]phenol.

Molecular Properties

Compound Name2-[2-[hydroxy(sulfanyl)amino]phenyl]phenol
PubChem CID87134728
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name2-[2-[hydroxy(sulfanyl)amino]phenyl]phenol
SMILESOc1ccccc1-c1ccccc1N(O)S
InChIInChI=1S/C12H11NO2S/c14-12-8-4-2-6-10(12)9-5-1-3-7-11(9)13(15)16/h1-8,14-16H
InChIKeyNSZMYAIDTWEGDD-UHFFFAOYSA-N
XLogP3.10
TPSA43.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-[2-[hydroxy(sulfanyl)amino]phenyl]phenol 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-[2-[hydroxy(sulfanyl)amino]phenyl]phenol?
The IUPAC name of 2-[2-[hydroxy(sulfanyl)amino]phenyl]phenol (CID 87134728) is 2-[2-[hydroxy(sulfanyl)amino]phenyl]phenol.
What is the SMILES notation for 2-[2-[hydroxy(sulfanyl)amino]phenyl]phenol?
The canonical SMILES for 2-[2-[hydroxy(sulfanyl)amino]phenyl]phenol is Oc1ccccc1-c1ccccc1N(O)S.
What is the InChIKey of 2-[2-[hydroxy(sulfanyl)amino]phenyl]phenol?
The InChIKey is NSZMYAIDTWEGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c14-12-8-4-2-6-10(12)9-5-1-3-7-11(9)13(15)16/h1-8,14-16H.
What are the key properties of 2-[2-[hydroxy(sulfanyl)amino]phenyl]phenol?
2-[2-[hydroxy(sulfanyl)amino]phenyl]phenol has a molecular weight of 233.29 g/mol, XLogP of 3.10, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[hydroxy(sulfanyl)amino]phenyl]phenol is sourced from PubChem (CID 87134728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).