2-(4-aminophenyl)-6-phenylsulfanylaniline

C18H16N2S — CID 68785876

IUPAC2-(4-aminophenyl)-6-phenylsulfanylaniline
SMILESNc1ccc(-c2cccc(Sc3ccccc3)c2N)cc1
InChIInChI=1S/C18H16N2S/c19-14-11-9-13(10-12-14)16-7-4-8-17(18(16)20)21-15-5-2-1-3-6-15/h1-12H,19-20H2
InChIKeyBJDDFIIKUJTKJT-UHFFFAOYSA-N
MW292.41 g/mol
LogP4.67
Rot. Bonds3

About 2-(4-aminophenyl)-6-phenylsulfanylaniline

2-(4-aminophenyl)-6-phenylsulfanylaniline (PubChem CID 68785876) has the molecular formula C18H16N2S and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-(4-aminophenyl)-6-phenylsulfanylaniline.

Molecular Properties

Compound Name2-(4-aminophenyl)-6-phenylsulfanylaniline
PubChem CID68785876
Molecular FormulaC18H16N2S
Molecular Weight292.41 g/mol
Exact Mass292.10
IUPAC Name2-(4-aminophenyl)-6-phenylsulfanylaniline
SMILESNc1ccc(-c2cccc(Sc3ccccc3)c2N)cc1
InChIInChI=1S/C18H16N2S/c19-14-11-9-13(10-12-14)16-7-4-8-17(18(16)20)21-15-5-2-1-3-6-15/h1-12H,19-20H2
InChIKeyBJDDFIIKUJTKJT-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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Related Compounds

1-(4-aminophenyl)sulfanyl-5-phenylsulfanylanthracene-9,10-dione
CID 89229492
4-phenyl-3-phenylsulfanylaniline
CID 68787885
2-amino-3-phenylsulfanylbenzonitrile
CID 104717495
4-(4-aminophenyl)-2-phenylsulfanylaniline
CID 68786659
4-[3-[3-(4-aminophenyl)-2-chlorophenyl]sulfanyl-2-chlorophenyl]aniline
CID 57157613
4-[4-(2-phenylphenyl)phenyl]aniline
CID 167431375
2-(2-aminophenyl)-3-phenylsulfanylaniline
CID 68792613
2-amino-3-phenylsulfanylbenzoic acid
CID 115547407
1-phenyl-2-(4-phenylsulfanylphenyl)benzene
CID 21416504
1-phenylsulfanylbiphenylene
CID 68821739
2-[4-(4-aminophenyl)sulfanylphenyl]sulfanylaniline
CID 142730597
1-[4-[4-(2,3-diphenylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-2,3-diphenylbenzene
CID 152689266

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-6-phenylsulfanylaniline?
The IUPAC name of 2-(4-aminophenyl)-6-phenylsulfanylaniline (CID 68785876) is 2-(4-aminophenyl)-6-phenylsulfanylaniline.
What is the SMILES notation for 2-(4-aminophenyl)-6-phenylsulfanylaniline?
The canonical SMILES for 2-(4-aminophenyl)-6-phenylsulfanylaniline is Nc1ccc(-c2cccc(Sc3ccccc3)c2N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-6-phenylsulfanylaniline?
The InChIKey is BJDDFIIKUJTKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2S/c19-14-11-9-13(10-12-14)16-7-4-8-17(18(16)20)21-15-5-2-1-3-6-15/h1-12H,19-20H2.
What are the key properties of 2-(4-aminophenyl)-6-phenylsulfanylaniline?
2-(4-aminophenyl)-6-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 2-(4-aminophenyl)-6-phenylsulfanylaniline is sourced from PubChem (CID 68785876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).