4-phenyl-3-phenylsulfanylaniline

C18H15NS — CID 68787885

IUPAC4-phenyl-3-phenylsulfanylaniline
SMILESNc1ccc(-c2ccccc2)c(Sc2ccccc2)c1
InChIInChI=1S/C18H15NS/c19-15-11-12-17(14-7-3-1-4-8-14)18(13-15)20-16-9-5-2-6-10-16/h1-13H,19H2
InChIKeyHYMBMDAZAKSLFD-UHFFFAOYSA-N
MW277.39 g/mol
LogP5.09
Rot. Bonds3

About 4-phenyl-3-phenylsulfanylaniline

4-phenyl-3-phenylsulfanylaniline (PubChem CID 68787885) has the molecular formula C18H15NS and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-phenyl-3-phenylsulfanylaniline.

Molecular Properties

Compound Name4-phenyl-3-phenylsulfanylaniline
PubChem CID68787885
Molecular FormulaC18H15NS
Molecular Weight277.39 g/mol
Exact Mass277.09
IUPAC Name4-phenyl-3-phenylsulfanylaniline
SMILESNc1ccc(-c2ccccc2)c(Sc2ccccc2)c1
InChIInChI=1S/C18H15NS/c19-15-11-12-17(14-7-3-1-4-8-14)18(13-15)20-16-9-5-2-6-10-16/h1-13H,19H2
InChIKeyHYMBMDAZAKSLFD-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 4-phenyl-3-phenylsulfanylaniline?
The IUPAC name of 4-phenyl-3-phenylsulfanylaniline (CID 68787885) is 4-phenyl-3-phenylsulfanylaniline.
What is the SMILES notation for 4-phenyl-3-phenylsulfanylaniline?
The canonical SMILES for 4-phenyl-3-phenylsulfanylaniline is Nc1ccc(-c2ccccc2)c(Sc2ccccc2)c1.
What is the InChIKey of 4-phenyl-3-phenylsulfanylaniline?
The InChIKey is HYMBMDAZAKSLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NS/c19-15-11-12-17(14-7-3-1-4-8-14)18(13-15)20-16-9-5-2-6-10-16/h1-13H,19H2.
What are the key properties of 4-phenyl-3-phenylsulfanylaniline?
4-phenyl-3-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 4-phenyl-3-phenylsulfanylaniline is sourced from PubChem (CID 68787885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).