4-pyridin-4-ylsulfanylaniline

C11H10N2S — CID 11321628

IUPAC4-pyridin-4-ylsulfanylaniline
SMILESNc1ccc(Sc2ccncc2)cc1
InChIInChI=1S/C11H10N2S/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h1-8H,12H2
InChIKeyDYOBZIUDPDIPKN-UHFFFAOYSA-N
MW202.28 g/mol
LogP2.82
Rot. Bonds2

About 4-pyridin-4-ylsulfanylaniline

4-pyridin-4-ylsulfanylaniline (PubChem CID 11321628) has the molecular formula C11H10N2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 4-pyridin-4-ylsulfanylaniline.

Molecular Properties

Compound Name4-pyridin-4-ylsulfanylaniline
PubChem CID11321628
Molecular FormulaC11H10N2S
Molecular Weight202.28 g/mol
Exact Mass202.06
IUPAC Name4-pyridin-4-ylsulfanylaniline
SMILESNc1ccc(Sc2ccncc2)cc1
InChIInChI=1S/C11H10N2S/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h1-8H,12H2
InChIKeyDYOBZIUDPDIPKN-UHFFFAOYSA-N
XLogP2.82
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(((Pyridin-3-yl)methyl)sulfanyl)aniline
CID 3642065
2-(Phenylsulfanyl)pyridin-3-amine
CID 819361
4-(Phenylthio)pyridine
CID 99184
2-Phenylthiopyridine
CID 817760
2-{2-[(4-Fluorophenyl)sulfanyl]ethyl}pyridine
CID 761521
4-(2-(Phenylthio)ethyl)pyridine
CID 88779
6-(Phenylsulfanyl)-3-pyridinamine
CID 699576
3-Pyridinamine, 6-((4-aminophenyl)sulfonyl)-
CID 79398
N-phenylpyridin-4-amine
CID 89945
4,4'-Dipyridyl Sulfide
CID 604650
3-(Phenylsulfanyl)pyridine
CID 3813610
4-(Methylthio)pyridine
CID 140938

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-ylsulfanylaniline?
The IUPAC name of 4-pyridin-4-ylsulfanylaniline (CID 11321628) is 4-pyridin-4-ylsulfanylaniline.
What is the SMILES notation for 4-pyridin-4-ylsulfanylaniline?
The canonical SMILES for 4-pyridin-4-ylsulfanylaniline is Nc1ccc(Sc2ccncc2)cc1.
What is the InChIKey of 4-pyridin-4-ylsulfanylaniline?
The InChIKey is DYOBZIUDPDIPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h1-8H,12H2.
What are the key properties of 4-pyridin-4-ylsulfanylaniline?
4-pyridin-4-ylsulfanylaniline has a molecular weight of 202.28 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-ylsulfanylaniline is sourced from PubChem (CID 11321628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).