2-pyridin-2-ylsulfanylaniline

C11H10N2S — CID 15211606

IUPAC2-pyridin-2-ylsulfanylaniline
SMILESNc1ccccc1Sc1ccccn1
InChIInChI=1S/C11H10N2S/c12-9-5-1-2-6-10(9)14-11-7-3-4-8-13-11/h1-8H,12H2
InChIKeyRHYPRJQTBZQYSL-UHFFFAOYSA-N
MW202.28 g/mol
LogP2.82
Rot. Bonds2

About 2-pyridin-2-ylsulfanylaniline

2-pyridin-2-ylsulfanylaniline (PubChem CID 15211606) has the molecular formula C11H10N2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 2-pyridin-2-ylsulfanylaniline.

Molecular Properties

Compound Name2-pyridin-2-ylsulfanylaniline
PubChem CID15211606
Molecular FormulaC11H10N2S
Molecular Weight202.28 g/mol
Exact Mass202.06
IUPAC Name2-pyridin-2-ylsulfanylaniline
SMILESNc1ccccc1Sc1ccccn1
InChIInChI=1S/C11H10N2S/c12-9-5-1-2-6-10(9)14-11-7-3-4-8-13-11/h1-8H,12H2
InChIKeyRHYPRJQTBZQYSL-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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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylsulfanylaniline?
The IUPAC name of 2-pyridin-2-ylsulfanylaniline (CID 15211606) is 2-pyridin-2-ylsulfanylaniline.
What is the SMILES notation for 2-pyridin-2-ylsulfanylaniline?
The canonical SMILES for 2-pyridin-2-ylsulfanylaniline is Nc1ccccc1Sc1ccccn1.
What is the InChIKey of 2-pyridin-2-ylsulfanylaniline?
The InChIKey is RHYPRJQTBZQYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S/c12-9-5-1-2-6-10(9)14-11-7-3-4-8-13-11/h1-8H,12H2.
What are the key properties of 2-pyridin-2-ylsulfanylaniline?
2-pyridin-2-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 2-pyridin-2-ylsulfanylaniline is sourced from PubChem (CID 15211606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).