2-[(6-ethoxy-2-pyridinyl)sulfanyl]aniline

C13H14N2OS — CID 63589730

IUPAC2-[(6-ethoxy-2-pyridinyl)sulfanyl]aniline
SMILESCCOc1cccc(Sc2ccccc2N)n1
InChIInChI=1S/C13H14N2OS/c1-2-16-12-8-5-9-13(15-12)17-11-7-4-3-6-10(11)14/h3-9H,2,14H2,1H3
InChIKeyJUFAQXZTABSJSM-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.21
Rot. Bonds4

About 2-[(6-ethoxy-2-pyridinyl)sulfanyl]aniline

2-[(6-ethoxy-2-pyridinyl)sulfanyl]aniline (PubChem CID 63589730) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-[(6-ethoxy-2-pyridinyl)sulfanyl]aniline.

Molecular Properties

Compound Name2-[(6-ethoxy-2-pyridinyl)sulfanyl]aniline
PubChem CID63589730
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name2-[(6-ethoxy-2-pyridinyl)sulfanyl]aniline
SMILESCCOc1cccc(Sc2ccccc2N)n1
InChIInChI=1S/C13H14N2OS/c1-2-16-12-8-5-9-13(15-12)17-11-7-4-3-6-10(11)14/h3-9H,2,14H2,1H3
InChIKeyJUFAQXZTABSJSM-UHFFFAOYSA-N
XLogP3.21
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(6-ethoxy-2-pyridinyl)sulfanyl]aniline?
The IUPAC name of 2-[(6-ethoxy-2-pyridinyl)sulfanyl]aniline (CID 63589730) is 2-[(6-ethoxy-2-pyridinyl)sulfanyl]aniline.
What is the SMILES notation for 2-[(6-ethoxy-2-pyridinyl)sulfanyl]aniline?
The canonical SMILES for 2-[(6-ethoxy-2-pyridinyl)sulfanyl]aniline is CCOc1cccc(Sc2ccccc2N)n1.
What is the InChIKey of 2-[(6-ethoxy-2-pyridinyl)sulfanyl]aniline?
The InChIKey is JUFAQXZTABSJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-2-16-12-8-5-9-13(15-12)17-11-7-4-3-6-10(11)14/h3-9H,2,14H2,1H3.
What are the key properties of 2-[(6-ethoxy-2-pyridinyl)sulfanyl]aniline?
2-[(6-ethoxy-2-pyridinyl)sulfanyl]aniline has a molecular weight of 246.34 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxy-2-pyridinyl)sulfanyl]aniline is sourced from PubChem (CID 63589730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).