4-(4-aminophenyl)-2-phenylsulfanylaniline

C18H16N2S — CID 68786659

IUPAC4-(4-aminophenyl)-2-phenylsulfanylaniline
SMILESNc1ccc(-c2ccc(N)c(Sc3ccccc3)c2)cc1
InChIInChI=1S/C18H16N2S/c19-15-9-6-13(7-10-15)14-8-11-17(20)18(12-14)21-16-4-2-1-3-5-16/h1-12H,19-20H2
InChIKeyLKZDKHKHQAIUAJ-UHFFFAOYSA-N
MW292.41 g/mol
LogP4.67
Rot. Bonds3

About 4-(4-aminophenyl)-2-phenylsulfanylaniline

4-(4-aminophenyl)-2-phenylsulfanylaniline (PubChem CID 68786659) has the molecular formula C18H16N2S and a molecular weight of 292.41 g/mol. Its IUPAC name is 4-(4-aminophenyl)-2-phenylsulfanylaniline.

Molecular Properties

Compound Name4-(4-aminophenyl)-2-phenylsulfanylaniline
PubChem CID68786659
Molecular FormulaC18H16N2S
Molecular Weight292.41 g/mol
Exact Mass292.10
IUPAC Name4-(4-aminophenyl)-2-phenylsulfanylaniline
SMILESNc1ccc(-c2ccc(N)c(Sc3ccccc3)c2)cc1
InChIInChI=1S/C18H16N2S/c19-15-9-6-13(7-10-15)14-8-11-17(20)18(12-14)21-16-4-2-1-3-5-16/h1-12H,19-20H2
InChIKeyLKZDKHKHQAIUAJ-UHFFFAOYSA-N
XLogP4.67
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 54.67
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 4-(4-aminophenyl)-2-phenylsulfanylaniline?
The IUPAC name of 4-(4-aminophenyl)-2-phenylsulfanylaniline (CID 68786659) is 4-(4-aminophenyl)-2-phenylsulfanylaniline.
What is the SMILES notation for 4-(4-aminophenyl)-2-phenylsulfanylaniline?
The canonical SMILES for 4-(4-aminophenyl)-2-phenylsulfanylaniline is Nc1ccc(-c2ccc(N)c(Sc3ccccc3)c2)cc1.
What is the InChIKey of 4-(4-aminophenyl)-2-phenylsulfanylaniline?
The InChIKey is LKZDKHKHQAIUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2S/c19-15-9-6-13(7-10-15)14-8-11-17(20)18(12-14)21-16-4-2-1-3-5-16/h1-12H,19-20H2.
What are the key properties of 4-(4-aminophenyl)-2-phenylsulfanylaniline?
4-(4-aminophenyl)-2-phenylsulfanylaniline has a molecular weight of 292.41 g/mol, XLogP of 4.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-2-phenylsulfanylaniline is sourced from PubChem (CID 68786659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).