2-phenyl-4-phenylsulfanylaniline

C18H15NS — CID 68788372

IUPAC2-phenyl-4-phenylsulfanylaniline
SMILESNc1ccc(Sc2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C18H15NS/c19-18-12-11-16(20-15-9-5-2-6-10-15)13-17(18)14-7-3-1-4-8-14/h1-13H,19H2
InChIKeyCHODSOJNNMOCAR-UHFFFAOYSA-N
MW277.39 g/mol
LogP5.09
Rot. Bonds3

About 2-phenyl-4-phenylsulfanylaniline

2-phenyl-4-phenylsulfanylaniline (PubChem CID 68788372) has the molecular formula C18H15NS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-phenyl-4-phenylsulfanylaniline.

Molecular Properties

Compound Name2-phenyl-4-phenylsulfanylaniline
PubChem CID68788372
Molecular FormulaC18H15NS
Molecular Weight277.39 g/mol
Exact Mass277.09
IUPAC Name2-phenyl-4-phenylsulfanylaniline
SMILESNc1ccc(Sc2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C18H15NS/c19-18-12-11-16(20-15-9-5-2-6-10-15)13-17(18)14-7-3-1-4-8-14/h1-13H,19H2
InChIKeyCHODSOJNNMOCAR-UHFFFAOYSA-N
XLogP5.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.39
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-phenyl-4-phenylsulfanylaniline?
The IUPAC name of 2-phenyl-4-phenylsulfanylaniline (CID 68788372) is 2-phenyl-4-phenylsulfanylaniline.
What is the SMILES notation for 2-phenyl-4-phenylsulfanylaniline?
The canonical SMILES for 2-phenyl-4-phenylsulfanylaniline is Nc1ccc(Sc2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 2-phenyl-4-phenylsulfanylaniline?
The InChIKey is CHODSOJNNMOCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NS/c19-18-12-11-16(20-15-9-5-2-6-10-15)13-17(18)14-7-3-1-4-8-14/h1-13H,19H2.
What are the key properties of 2-phenyl-4-phenylsulfanylaniline?
2-phenyl-4-phenylsulfanylaniline has a molecular weight of 277.39 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-phenylsulfanylaniline is sourced from PubChem (CID 68788372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).