2-[(2-aminophenyl)disulfanyl]aniline;hydrochloride

C12H13ClN2S2 — CID 54599340

IUPAC2-[(2-aminophenyl)disulfanyl]aniline;hydrochloride
SMILESCl.Nc1ccccc1SSc1ccccc1N
InChIInChI=1S/C12H12N2S2.ClH/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14;/h1-8H,13-14H2;1H
InChIKeyQPBITDMLYUBGNN-UHFFFAOYSA-N
MW284.84 g/mol
LogP4.07
Rot. Bonds3

About 2-[(2-aminophenyl)disulfanyl]aniline;hydrochloride

2-[(2-aminophenyl)disulfanyl]aniline;hydrochloride (PubChem CID 54599340) has the molecular formula C12H13ClN2S2 and a molecular weight of 284.84 g/mol. Its IUPAC name is 2-[(2-aminophenyl)disulfanyl]aniline;hydrochloride.

Molecular Properties

Compound Name2-[(2-aminophenyl)disulfanyl]aniline;hydrochloride
PubChem CID54599340
Molecular FormulaC12H13ClN2S2
Molecular Weight284.84 g/mol
Exact Mass284.02
IUPAC Name2-[(2-aminophenyl)disulfanyl]aniline;hydrochloride
SMILESCl.Nc1ccccc1SSc1ccccc1N
InChIInChI=1S/C12H12N2S2.ClH/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14;/h1-8H,13-14H2;1H
InChIKeyQPBITDMLYUBGNN-UHFFFAOYSA-N
XLogP4.07
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.84
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2-aminophenyl)disulfanyl]aniline;hydrochloride 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)disulfanyl]aniline;hydrochloride?
The IUPAC name of 2-[(2-aminophenyl)disulfanyl]aniline;hydrochloride (CID 54599340) is 2-[(2-aminophenyl)disulfanyl]aniline;hydrochloride.
What is the SMILES notation for 2-[(2-aminophenyl)disulfanyl]aniline;hydrochloride?
The canonical SMILES for 2-[(2-aminophenyl)disulfanyl]aniline;hydrochloride is Cl.Nc1ccccc1SSc1ccccc1N.
What is the InChIKey of 2-[(2-aminophenyl)disulfanyl]aniline;hydrochloride?
The InChIKey is QPBITDMLYUBGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S2.ClH/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14;/h1-8H,13-14H2;1H.
What are the key properties of 2-[(2-aminophenyl)disulfanyl]aniline;hydrochloride?
2-[(2-aminophenyl)disulfanyl]aniline;hydrochloride has a molecular weight of 284.84 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)disulfanyl]aniline;hydrochloride is sourced from PubChem (CID 54599340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).