2,3,5,6-tetramethyl-4-methylsulfanylphenol

C11H16OS — CID 121223443

IUPAC2,3,5,6-tetramethyl-4-methylsulfanylphenol
SMILESCSc1c(C)c(C)c(O)c(C)c1C
InChIInChI=1S/C11H16OS/c1-6-8(3)11(13-5)9(4)7(2)10(6)12/h12H,1-5H3
InChIKeyAYNLBCQGIUBLAR-UHFFFAOYSA-N
MW196.31 g/mol
LogP3.35
Rot. Bonds1

About 2,3,5,6-tetramethyl-4-methylsulfanylphenol

2,3,5,6-tetramethyl-4-methylsulfanylphenol (PubChem CID 121223443) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-4-methylsulfanylphenol.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-4-methylsulfanylphenol
PubChem CID121223443
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name2,3,5,6-tetramethyl-4-methylsulfanylphenol
SMILESCSc1c(C)c(C)c(O)c(C)c1C
InChIInChI=1S/C11H16OS/c1-6-8(3)11(13-5)9(4)7(2)10(6)12/h12H,1-5H3
InChIKeyAYNLBCQGIUBLAR-UHFFFAOYSA-N
XLogP3.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-4-methylsulfanylphenol?
The IUPAC name of 2,3,5,6-tetramethyl-4-methylsulfanylphenol (CID 121223443) is 2,3,5,6-tetramethyl-4-methylsulfanylphenol.
What is the SMILES notation for 2,3,5,6-tetramethyl-4-methylsulfanylphenol?
The canonical SMILES for 2,3,5,6-tetramethyl-4-methylsulfanylphenol is CSc1c(C)c(C)c(O)c(C)c1C.
What is the InChIKey of 2,3,5,6-tetramethyl-4-methylsulfanylphenol?
The InChIKey is AYNLBCQGIUBLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-6-8(3)11(13-5)9(4)7(2)10(6)12/h12H,1-5H3.
What are the key properties of 2,3,5,6-tetramethyl-4-methylsulfanylphenol?
2,3,5,6-tetramethyl-4-methylsulfanylphenol has a molecular weight of 196.31 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-4-methylsulfanylphenol is sourced from PubChem (CID 121223443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).