2-(2-aminophenyl)sulfanylbenzoic acid

C13H11NO2S — CID 10955828

IUPAC2-(2-aminophenyl)sulfanylbenzoic acid
SMILESNc1ccccc1Sc1ccccc1C(=O)O
InChIInChI=1S/C13H11NO2S/c14-10-6-2-4-8-12(10)17-11-7-3-1-5-9(11)13(15)16/h1-8H,14H2,(H,15,16)
InChIKeyRMNTUOAOPRWVLP-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.12
Rot. Bonds3

About 2-(2-aminophenyl)sulfanylbenzoic acid

2-(2-aminophenyl)sulfanylbenzoic acid (PubChem CID 10955828) has the molecular formula C13H11NO2S and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanylbenzoic acid.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanylbenzoic acid
PubChem CID10955828
Molecular FormulaC13H11NO2S
Molecular Weight245.30 g/mol
Exact Mass245.05
IUPAC Name2-(2-aminophenyl)sulfanylbenzoic acid
SMILESNc1ccccc1Sc1ccccc1C(=O)O
InChIInChI=1S/C13H11NO2S/c14-10-6-2-4-8-12(10)17-11-7-3-1-5-9(11)13(15)16/h1-8H,14H2,(H,15,16)
InChIKeyRMNTUOAOPRWVLP-UHFFFAOYSA-N
XLogP3.12
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-aminophenyl)sulfanylbenzoic acid 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-aminophenyl)sulfanylbenzoic acid?
The IUPAC name of 2-(2-aminophenyl)sulfanylbenzoic acid (CID 10955828) is 2-(2-aminophenyl)sulfanylbenzoic acid.
What is the SMILES notation for 2-(2-aminophenyl)sulfanylbenzoic acid?
The canonical SMILES for 2-(2-aminophenyl)sulfanylbenzoic acid is Nc1ccccc1Sc1ccccc1C(=O)O.
What is the InChIKey of 2-(2-aminophenyl)sulfanylbenzoic acid?
The InChIKey is RMNTUOAOPRWVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2S/c14-10-6-2-4-8-12(10)17-11-7-3-1-5-9(11)13(15)16/h1-8H,14H2,(H,15,16).
What are the key properties of 2-(2-aminophenyl)sulfanylbenzoic acid?
2-(2-aminophenyl)sulfanylbenzoic acid has a molecular weight of 245.30 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfanylbenzoic acid is sourced from PubChem (CID 10955828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).