4-ethyl-2-sulfanylphenol

C8H10OS — CID 20572338

IUPAC4-ethyl-2-sulfanylphenol
SMILESCCc1ccc(O)c(S)c1
InChIInChI=1S/C8H10OS/c1-2-6-3-4-7(9)8(10)5-6/h3-5,9-10H,2H2,1H3
InChIKeyUIKWHZMPLNYNHF-UHFFFAOYSA-N
MW154.23 g/mol
LogP2.24
Rot. Bonds1

About 4-ethyl-2-sulfanylphenol

4-ethyl-2-sulfanylphenol (PubChem CID 20572338) has the molecular formula C8H10OS and a molecular weight of 154.23 g/mol. Its IUPAC name is 4-ethyl-2-sulfanylphenol.

Molecular Properties

Compound Name4-ethyl-2-sulfanylphenol
PubChem CID20572338
Molecular FormulaC8H10OS
Molecular Weight154.23 g/mol
Exact Mass154.05
IUPAC Name4-ethyl-2-sulfanylphenol
SMILESCCc1ccc(O)c(S)c1
InChIInChI=1S/C8H10OS/c1-2-6-3-4-7(9)8(10)5-6/h3-5,9-10H,2H2,1H3
InChIKeyUIKWHZMPLNYNHF-UHFFFAOYSA-N
XLogP2.24
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-sulfanylphenol?
The IUPAC name of 4-ethyl-2-sulfanylphenol (CID 20572338) is 4-ethyl-2-sulfanylphenol.
What is the SMILES notation for 4-ethyl-2-sulfanylphenol?
The canonical SMILES for 4-ethyl-2-sulfanylphenol is CCc1ccc(O)c(S)c1.
What is the InChIKey of 4-ethyl-2-sulfanylphenol?
The InChIKey is UIKWHZMPLNYNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS/c1-2-6-3-4-7(9)8(10)5-6/h3-5,9-10H,2H2,1H3.
What are the key properties of 4-ethyl-2-sulfanylphenol?
4-ethyl-2-sulfanylphenol has a molecular weight of 154.23 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-sulfanylphenol is sourced from PubChem (CID 20572338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).