2-bromo-6-fluoro-3-methylsulfanylphenol

C7H6BrFOS — CID 118993315

IUPAC2-bromo-6-fluoro-3-methylsulfanylphenol
SMILESCSc1ccc(F)c(O)c1Br
InChIInChI=1S/C7H6BrFOS/c1-11-5-3-2-4(9)7(10)6(5)8/h2-3,10H,1H3
InChIKeyQNRJUBMNWZAYQG-UHFFFAOYSA-N
MW237.09 g/mol
LogP3.02
Rot. Bonds1

About 2-bromo-6-fluoro-3-methylsulfanylphenol

2-bromo-6-fluoro-3-methylsulfanylphenol (PubChem CID 118993315) has the molecular formula C7H6BrFOS and a molecular weight of 237.09 g/mol. Its IUPAC name is 2-bromo-6-fluoro-3-methylsulfanylphenol.

Molecular Properties

Compound Name2-bromo-6-fluoro-3-methylsulfanylphenol
PubChem CID118993315
Molecular FormulaC7H6BrFOS
Molecular Weight237.09 g/mol
Exact Mass235.93
IUPAC Name2-bromo-6-fluoro-3-methylsulfanylphenol
SMILESCSc1ccc(F)c(O)c1Br
InChIInChI=1S/C7H6BrFOS/c1-11-5-3-2-4(9)7(10)6(5)8/h2-3,10H,1H3
InChIKeyQNRJUBMNWZAYQG-UHFFFAOYSA-N
XLogP3.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.09
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-3-methylsulfanylphenol?
The IUPAC name of 2-bromo-6-fluoro-3-methylsulfanylphenol (CID 118993315) is 2-bromo-6-fluoro-3-methylsulfanylphenol.
What is the SMILES notation for 2-bromo-6-fluoro-3-methylsulfanylphenol?
The canonical SMILES for 2-bromo-6-fluoro-3-methylsulfanylphenol is CSc1ccc(F)c(O)c1Br.
What is the InChIKey of 2-bromo-6-fluoro-3-methylsulfanylphenol?
The InChIKey is QNRJUBMNWZAYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFOS/c1-11-5-3-2-4(9)7(10)6(5)8/h2-3,10H,1H3.
What are the key properties of 2-bromo-6-fluoro-3-methylsulfanylphenol?
2-bromo-6-fluoro-3-methylsulfanylphenol has a molecular weight of 237.09 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-3-methylsulfanylphenol is sourced from PubChem (CID 118993315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).