2,6-ditert-butyl-4-methylsulfanylphenol

C15H24OS — CID 14479952

IUPAC2,6-ditert-butyl-4-methylsulfanylphenol
SMILESCSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C15H24OS/c1-14(2,3)11-8-10(17-7)9-12(13(11)16)15(4,5)6/h8-9,16H,1-7H3
InChIKeyCNCGVWVSYGCFMD-UHFFFAOYSA-N
MW252.42 g/mol
LogP4.71
Rot. Bonds1

About 2,6-ditert-butyl-4-methylsulfanylphenol

2,6-ditert-butyl-4-methylsulfanylphenol (PubChem CID 14479952) has the molecular formula C15H24OS and a molecular weight of 252.42 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-methylsulfanylphenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-methylsulfanylphenol
PubChem CID14479952
Molecular FormulaC15H24OS
Molecular Weight252.42 g/mol
Exact Mass252.15
IUPAC Name2,6-ditert-butyl-4-methylsulfanylphenol
SMILESCSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C15H24OS/c1-14(2,3)11-8-10(17-7)9-12(13(11)16)15(4,5)6/h8-9,16H,1-7H3
InChIKeyCNCGVWVSYGCFMD-UHFFFAOYSA-N
XLogP4.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.42
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-methylsulfanylphenol?
The IUPAC name of 2,6-ditert-butyl-4-methylsulfanylphenol (CID 14479952) is 2,6-ditert-butyl-4-methylsulfanylphenol.
What is the SMILES notation for 2,6-ditert-butyl-4-methylsulfanylphenol?
The canonical SMILES for 2,6-ditert-butyl-4-methylsulfanylphenol is CSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,6-ditert-butyl-4-methylsulfanylphenol?
The InChIKey is CNCGVWVSYGCFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24OS/c1-14(2,3)11-8-10(17-7)9-12(13(11)16)15(4,5)6/h8-9,16H,1-7H3.
What are the key properties of 2,6-ditert-butyl-4-methylsulfanylphenol?
2,6-ditert-butyl-4-methylsulfanylphenol has a molecular weight of 252.42 g/mol, XLogP of 4.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-methylsulfanylphenol is sourced from PubChem (CID 14479952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).