2,4,6-triethyl-3-ethylsulfanylphenol

C14H22OS — CID 23311675

IUPAC2,4,6-triethyl-3-ethylsulfanylphenol
SMILESCCSc1c(CC)cc(CC)c(O)c1CC
InChIInChI=1S/C14H22OS/c1-5-10-9-11(6-2)14(16-8-4)12(7-3)13(10)15/h9,15H,5-8H2,1-4H3
InChIKeyUOIJKWKXGNIUGD-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.19
Rot. Bonds5

About 2,4,6-triethyl-3-ethylsulfanylphenol

2,4,6-triethyl-3-ethylsulfanylphenol (PubChem CID 23311675) has the molecular formula C14H22OS and a molecular weight of 238.40 g/mol. Its IUPAC name is 2,4,6-triethyl-3-ethylsulfanylphenol.

Molecular Properties

Compound Name2,4,6-triethyl-3-ethylsulfanylphenol
PubChem CID23311675
Molecular FormulaC14H22OS
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name2,4,6-triethyl-3-ethylsulfanylphenol
SMILESCCSc1c(CC)cc(CC)c(O)c1CC
InChIInChI=1S/C14H22OS/c1-5-10-9-11(6-2)14(16-8-4)12(7-3)13(10)15/h9,15H,5-8H2,1-4H3
InChIKeyUOIJKWKXGNIUGD-UHFFFAOYSA-N
XLogP4.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,4,6-triethyl-3-ethylsulfanylphenol 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 2,4,6-triethyl-3-ethylsulfanylphenol?
The IUPAC name of 2,4,6-triethyl-3-ethylsulfanylphenol (CID 23311675) is 2,4,6-triethyl-3-ethylsulfanylphenol.
What is the SMILES notation for 2,4,6-triethyl-3-ethylsulfanylphenol?
The canonical SMILES for 2,4,6-triethyl-3-ethylsulfanylphenol is CCSc1c(CC)cc(CC)c(O)c1CC.
What is the InChIKey of 2,4,6-triethyl-3-ethylsulfanylphenol?
The InChIKey is UOIJKWKXGNIUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OS/c1-5-10-9-11(6-2)14(16-8-4)12(7-3)13(10)15/h9,15H,5-8H2,1-4H3.
What are the key properties of 2,4,6-triethyl-3-ethylsulfanylphenol?
2,4,6-triethyl-3-ethylsulfanylphenol has a molecular weight of 238.40 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triethyl-3-ethylsulfanylphenol is sourced from PubChem (CID 23311675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).