2-(4-ethylsulfanylphenyl)aniline

C14H15NS — CID 68786818

IUPAC2-(4-ethylsulfanylphenyl)aniline
SMILESCCSc1ccc(-c2ccccc2N)cc1
InChIInChI=1S/C14H15NS/c1-2-16-12-9-7-11(8-10-12)13-5-3-4-6-14(13)15/h3-10H,2,15H2,1H3
InChIKeyQCHZPWZOWPTTPF-UHFFFAOYSA-N
MW229.35 g/mol
LogP4.05
Rot. Bonds3

About 2-(4-ethylsulfanylphenyl)aniline

2-(4-ethylsulfanylphenyl)aniline (PubChem CID 68786818) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is 2-(4-ethylsulfanylphenyl)aniline.

Molecular Properties

Compound Name2-(4-ethylsulfanylphenyl)aniline
PubChem CID68786818
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name2-(4-ethylsulfanylphenyl)aniline
SMILESCCSc1ccc(-c2ccccc2N)cc1
InChIInChI=1S/C14H15NS/c1-2-16-12-9-7-11(8-10-12)13-5-3-4-6-14(13)15/h3-10H,2,15H2,1H3
InChIKeyQCHZPWZOWPTTPF-UHFFFAOYSA-N
XLogP4.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 54.05
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-(4-ethylsulfanylphenyl)aniline?
The IUPAC name of 2-(4-ethylsulfanylphenyl)aniline (CID 68786818) is 2-(4-ethylsulfanylphenyl)aniline.
What is the SMILES notation for 2-(4-ethylsulfanylphenyl)aniline?
The canonical SMILES for 2-(4-ethylsulfanylphenyl)aniline is CCSc1ccc(-c2ccccc2N)cc1.
What is the InChIKey of 2-(4-ethylsulfanylphenyl)aniline?
The InChIKey is QCHZPWZOWPTTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS/c1-2-16-12-9-7-11(8-10-12)13-5-3-4-6-14(13)15/h3-10H,2,15H2,1H3.
What are the key properties of 2-(4-ethylsulfanylphenyl)aniline?
2-(4-ethylsulfanylphenyl)aniline has a molecular weight of 229.35 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfanylphenyl)aniline is sourced from PubChem (CID 68786818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).