2-(2-methoxy-5-methylphenyl)sulfanylaniline

C₁₄H₁₅NOS — CID 82118800

About 2-(2-methoxy-5-methylphenyl)sulfanylaniline

2-(2-methoxy-5-methylphenyl)sulfanylaniline (PubChem CID 82118800) has the molecular formula C₁₄H₁₅NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)sulfanylaniline.

Molecular Properties

• Compound Name: 2-(2-methoxy-5-methylphenyl)sulfanylaniline
• PubChem CID: 82118800
• Molecular Formula: C₁₄H₁₅NOS
• Molecular Weight: 245.35 g/mol
• Exact Mass: 245.09
• IUPAC Name: 2-(2-methoxy-5-methylphenyl)sulfanylaniline
• SMILES: COc1ccc(C)cc1Sc1ccccc1N
• InChI: InChI=1S/C14H15NOS/c1-10-7-8-12(16-2)14(9-10)17-13-6-4-3-5-11(13)15/h3-9H,15H2,1-2H3
• InChIKey: GDYLMQFSDNUHBH-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 35.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	245.35
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)sulfanylaniline?

The IUPAC name of 2-(2-methoxy-5-methylphenyl)sulfanylaniline (CID 82118800) is 2-(2-methoxy-5-methylphenyl)sulfanylaniline.

What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)sulfanylaniline?

The canonical SMILES for 2-(2-methoxy-5-methylphenyl)sulfanylaniline is COc1ccc(C)cc1Sc1ccccc1N.

What is the InChIKey of 2-(2-methoxy-5-methylphenyl)sulfanylaniline?

The InChIKey is GDYLMQFSDNUHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-10-7-8-12(16-2)14(9-10)17-13-6-4-3-5-11(13)15/h3-9H,15H2,1-2H3.

What are the key properties of 2-(2-methoxy-5-methylphenyl)sulfanylaniline?

2-(2-methoxy-5-methylphenyl)sulfanylaniline has a molecular weight of 245.35 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxy-5-methylphenyl)sulfanylaniline is sourced from PubChem (CID 82118800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 82118800 — identifiers, structure, computed properties (public domain)

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