2-(2-aminophenyl)sulfanylaniline

C12H12N2S — CID 612177

IUPAC2-(2-aminophenyl)sulfanylaniline
SMILESNc1ccccc1Sc1ccccc1N
InChIInChI=1S/C12H12N2S/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8H,13-14H2
InChIKeyWRRQKFXVKRQPDB-UHFFFAOYSA-N
MW216.31 g/mol
LogP3.00
Rot. Bonds2

About 2-(2-aminophenyl)sulfanylaniline

2-(2-aminophenyl)sulfanylaniline (PubChem CID 612177) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanylaniline.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanylaniline
PubChem CID612177
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC Name2-(2-aminophenyl)sulfanylaniline
SMILESNc1ccccc1Sc1ccccc1N
InChIInChI=1S/C12H12N2S/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8H,13-14H2
InChIKeyWRRQKFXVKRQPDB-UHFFFAOYSA-N
XLogP3.00
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfanylaniline?
The IUPAC name of 2-(2-aminophenyl)sulfanylaniline (CID 612177) is 2-(2-aminophenyl)sulfanylaniline.
What is the SMILES notation for 2-(2-aminophenyl)sulfanylaniline?
The canonical SMILES for 2-(2-aminophenyl)sulfanylaniline is Nc1ccccc1Sc1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)sulfanylaniline?
The InChIKey is WRRQKFXVKRQPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8H,13-14H2.
What are the key properties of 2-(2-aminophenyl)sulfanylaniline?
2-(2-aminophenyl)sulfanylaniline has a molecular weight of 216.31 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfanylaniline is sourced from PubChem (CID 612177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).