4-ethoxybenzenethiol

C8H10OS — CID 9106508

IUPAC4-ethoxybenzenethiol
SMILESCCOc1ccc(S)cc1
InChIInChI=1S/C8H10OS/c1-2-9-7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3
InChIKeyOXWOIUVGAWIZQQ-UHFFFAOYSA-N
MW154.23 g/mol
LogP2.37
Rot. Bonds2

About 4-ethoxybenzenethiol

4-ethoxybenzenethiol (PubChem CID 9106508) has the molecular formula C8H10OS and a molecular weight of 154.23 g/mol. Its IUPAC name is 4-ethoxybenzenethiol.

Molecular Properties

Compound Name4-ethoxybenzenethiol
PubChem CID9106508
Molecular FormulaC8H10OS
Molecular Weight154.23 g/mol
Exact Mass154.05
IUPAC Name4-ethoxybenzenethiol
SMILESCCOc1ccc(S)cc1
InChIInChI=1S/C8H10OS/c1-2-9-7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3
InChIKeyOXWOIUVGAWIZQQ-UHFFFAOYSA-N
XLogP2.37
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 4-ethoxybenzenethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethoxybenzenethiol?
The IUPAC name of 4-ethoxybenzenethiol (CID 9106508) is 4-ethoxybenzenethiol.
What is the SMILES notation for 4-ethoxybenzenethiol?
The canonical SMILES for 4-ethoxybenzenethiol is CCOc1ccc(S)cc1.
What is the InChIKey of 4-ethoxybenzenethiol?
The InChIKey is OXWOIUVGAWIZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS/c1-2-9-7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3.
What are the key properties of 4-ethoxybenzenethiol?
4-ethoxybenzenethiol has a molecular weight of 154.23 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxybenzenethiol is sourced from PubChem (CID 9106508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).