2-[(2-aminophenyl)disulfanyl]aniline

C12H12N2S2 — CID 14358

IUPAC2-[(2-aminophenyl)disulfanyl]aniline
SMILESNc1ccccc1SSc1ccccc1N
InChIInChI=1S/C12H12N2S2/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14/h1-8H,13-14H2
InChIKeyYYYOQURZQWIILK-UHFFFAOYSA-N
MW248.38 g/mol
LogP3.65
Rot. Bonds3

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

2-[(2-aminophenyl)disulfanyl]aniline (PubChem CID 14358) has the molecular formula C12H12N2S2 and a molecular weight of 248.38 g/mol. Its IUPAC name is 2-[(2-aminophenyl)disulfanyl]aniline.

Molecular Properties

Compound Name2-[(2-aminophenyl)disulfanyl]aniline
PubChem CID14358
Molecular FormulaC12H12N2S2
Molecular Weight248.38 g/mol
Exact Mass248.04
IUPAC Name2-[(2-aminophenyl)disulfanyl]aniline
SMILESNc1ccccc1SSc1ccccc1N
InChIInChI=1S/C12H12N2S2/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14/h1-8H,13-14H2
InChIKeyYYYOQURZQWIILK-UHFFFAOYSA-N
XLogP3.65
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.38
LogP ≤ 53.65
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 with MolForge

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

Launch Full Analysis

Related Compounds

4,4'-Thiodianiline
CID 8765
2-Aminothiophenol
CID 8713
1,2-Bis(2-aminophenylthio)ethane
CID 92343
4-Aminophenyl disulfide
CID 12875
2-(Phenylthio)aniline
CID 365393
2-(Methylthio)aniline
CID 76337
4-(Phenylthio)aniline
CID 96081
2,2'-Dithiobis(5-chloroaniline)
CID 94742
2-Amino-5-fluorobenzene-1-thiol
CID 320547
Benzenamine, 2,2'-(methylenebis(thio))bis-
CID 93685
Aniline, 2,2'-(2-butenylenedithio)di-, (E)-
CID 5713752
2-amino-N-phenylbenzene-1-sulfonamide
CID 291711

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)disulfanyl]aniline?
The IUPAC name of 2-[(2-aminophenyl)disulfanyl]aniline (CID 14358) is 2-[(2-aminophenyl)disulfanyl]aniline.
What is the SMILES notation for 2-[(2-aminophenyl)disulfanyl]aniline?
The canonical SMILES for 2-[(2-aminophenyl)disulfanyl]aniline is Nc1ccccc1SSc1ccccc1N.
What is the InChIKey of 2-[(2-aminophenyl)disulfanyl]aniline?
The InChIKey is YYYOQURZQWIILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S2/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14/h1-8H,13-14H2.
What are the key properties of 2-[(2-aminophenyl)disulfanyl]aniline?
2-[(2-aminophenyl)disulfanyl]aniline has a molecular weight of 248.38 g/mol, XLogP of 3.65, 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 is sourced from PubChem (CID 14358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).