2-ethoxy-4-(2-methylphenyl)sulfanylaniline

C15H17NOS — CID 63677616

IUPAC2-ethoxy-4-(2-methylphenyl)sulfanylaniline
SMILESCCOc1cc(Sc2ccccc2C)ccc1N
InChIInChI=1S/C15H17NOS/c1-3-17-14-10-12(8-9-13(14)16)18-15-7-5-4-6-11(15)2/h4-10H,3,16H2,1-2H3
InChIKeyPGIKZWKXTXVEBV-UHFFFAOYSA-N
MW259.37 g/mol
LogP4.13
Rot. Bonds4

About 2-ethoxy-4-(2-methylphenyl)sulfanylaniline

2-ethoxy-4-(2-methylphenyl)sulfanylaniline (PubChem CID 63677616) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-ethoxy-4-(2-methylphenyl)sulfanylaniline.

Molecular Properties

Compound Name2-ethoxy-4-(2-methylphenyl)sulfanylaniline
PubChem CID63677616
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name2-ethoxy-4-(2-methylphenyl)sulfanylaniline
SMILESCCOc1cc(Sc2ccccc2C)ccc1N
InChIInChI=1S/C15H17NOS/c1-3-17-14-10-12(8-9-13(14)16)18-15-7-5-4-6-11(15)2/h4-10H,3,16H2,1-2H3
InChIKeyPGIKZWKXTXVEBV-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 54.13
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-ethoxy-4-(2-methylphenyl)sulfanylaniline?
The IUPAC name of 2-ethoxy-4-(2-methylphenyl)sulfanylaniline (CID 63677616) is 2-ethoxy-4-(2-methylphenyl)sulfanylaniline.
What is the SMILES notation for 2-ethoxy-4-(2-methylphenyl)sulfanylaniline?
The canonical SMILES for 2-ethoxy-4-(2-methylphenyl)sulfanylaniline is CCOc1cc(Sc2ccccc2C)ccc1N.
What is the InChIKey of 2-ethoxy-4-(2-methylphenyl)sulfanylaniline?
The InChIKey is PGIKZWKXTXVEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-3-17-14-10-12(8-9-13(14)16)18-15-7-5-4-6-11(15)2/h4-10H,3,16H2,1-2H3.
What are the key properties of 2-ethoxy-4-(2-methylphenyl)sulfanylaniline?
2-ethoxy-4-(2-methylphenyl)sulfanylaniline has a molecular weight of 259.37 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(2-methylphenyl)sulfanylaniline is sourced from PubChem (CID 63677616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).