2-amino-4-(4-ethylphenyl)sulfanylphenol

C14H15NOS — CID 70534709

IUPAC2-amino-4-(4-ethylphenyl)sulfanylphenol
SMILESCCc1ccc(Sc2ccc(O)c(N)c2)cc1
InChIInChI=1S/C14H15NOS/c1-2-10-3-5-11(6-4-10)17-12-7-8-14(16)13(15)9-12/h3-9,16H,2,15H2,1H3
InChIKeyWADJSRIGEDXNRE-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.69
Rot. Bonds3

About 2-amino-4-(4-ethylphenyl)sulfanylphenol

2-amino-4-(4-ethylphenyl)sulfanylphenol (PubChem CID 70534709) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-amino-4-(4-ethylphenyl)sulfanylphenol.

Molecular Properties

Compound Name2-amino-4-(4-ethylphenyl)sulfanylphenol
PubChem CID70534709
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name2-amino-4-(4-ethylphenyl)sulfanylphenol
SMILESCCc1ccc(Sc2ccc(O)c(N)c2)cc1
InChIInChI=1S/C14H15NOS/c1-2-10-3-5-11(6-4-10)17-12-7-8-14(16)13(15)9-12/h3-9,16H,2,15H2,1H3
InChIKeyWADJSRIGEDXNRE-UHFFFAOYSA-N
XLogP3.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-ethylphenyl)sulfanylphenol?
The IUPAC name of 2-amino-4-(4-ethylphenyl)sulfanylphenol (CID 70534709) is 2-amino-4-(4-ethylphenyl)sulfanylphenol.
What is the SMILES notation for 2-amino-4-(4-ethylphenyl)sulfanylphenol?
The canonical SMILES for 2-amino-4-(4-ethylphenyl)sulfanylphenol is CCc1ccc(Sc2ccc(O)c(N)c2)cc1.
What is the InChIKey of 2-amino-4-(4-ethylphenyl)sulfanylphenol?
The InChIKey is WADJSRIGEDXNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-2-10-3-5-11(6-4-10)17-12-7-8-14(16)13(15)9-12/h3-9,16H,2,15H2,1H3.
What are the key properties of 2-amino-4-(4-ethylphenyl)sulfanylphenol?
2-amino-4-(4-ethylphenyl)sulfanylphenol has a molecular weight of 245.35 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-ethylphenyl)sulfanylphenol is sourced from PubChem (CID 70534709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).