2-fluoro-6-methyl-4-methylsulfanylphenol

C8H9FOS — CID 142559998

IUPAC2-fluoro-6-methyl-4-methylsulfanylphenol
SMILESCSc1cc(C)c(O)c(F)c1
InChIInChI=1S/C8H9FOS/c1-5-3-6(11-2)4-7(9)8(5)10/h3-4,10H,1-2H3
InChIKeyLHTQWJAHJDGVAM-UHFFFAOYSA-N
MW172.22 g/mol
LogP2.56
Rot. Bonds1

About 2-fluoro-6-methyl-4-methylsulfanylphenol

2-fluoro-6-methyl-4-methylsulfanylphenol (PubChem CID 142559998) has the molecular formula C8H9FOS and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-fluoro-6-methyl-4-methylsulfanylphenol.

Molecular Properties

Compound Name2-fluoro-6-methyl-4-methylsulfanylphenol
PubChem CID142559998
Molecular FormulaC8H9FOS
Molecular Weight172.22 g/mol
Exact Mass172.04
IUPAC Name2-fluoro-6-methyl-4-methylsulfanylphenol
SMILESCSc1cc(C)c(O)c(F)c1
InChIInChI=1S/C8H9FOS/c1-5-3-6(11-2)4-7(9)8(5)10/h3-4,10H,1-2H3
InChIKeyLHTQWJAHJDGVAM-UHFFFAOYSA-N
XLogP2.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-methyl-4-methylsulfanylphenol;methane
CID 142559997
4-[(4-hydroxy-3,5-dimethylphenyl)disulfanyl]-2,6-dimethylphenol
CID 23361225
2-fluoro-1-methyl-4-methylsulfanylbenzene
CID 53414492
3-fluoro-4-hydroxy-5-methylbenzaldehyde
CID 58240544
(2,6-dimethyl-4-methylsulfanylphenyl)boronic acid
CID 141369981
2,6-difluoro-4-methylphenol;rutherfordium
CID 59884291
3,6-difluoro-4-methylbenzene-1,2-diol
CID 20702368
2,3,4-trifluoro-6-methylphenol
CID 54304883
2,6-difluoro-4-methylsulfanylbenzenesulfinic acid
CID 70999940
1,3-difluoro-5-methylsulfanyl-2-propan-2-ylbenzene
CID 166718407
2,6-dimethyl-4-methylsulfanylbenzonitrile
CID 59208149
methanol;2,4,6-trifluorophenol
CID 145053745

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-4-methylsulfanylphenol?
The IUPAC name of 2-fluoro-6-methyl-4-methylsulfanylphenol (CID 142559998) is 2-fluoro-6-methyl-4-methylsulfanylphenol.
What is the SMILES notation for 2-fluoro-6-methyl-4-methylsulfanylphenol?
The canonical SMILES for 2-fluoro-6-methyl-4-methylsulfanylphenol is CSc1cc(C)c(O)c(F)c1.
What is the InChIKey of 2-fluoro-6-methyl-4-methylsulfanylphenol?
The InChIKey is LHTQWJAHJDGVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FOS/c1-5-3-6(11-2)4-7(9)8(5)10/h3-4,10H,1-2H3.
What are the key properties of 2-fluoro-6-methyl-4-methylsulfanylphenol?
2-fluoro-6-methyl-4-methylsulfanylphenol has a molecular weight of 172.22 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-4-methylsulfanylphenol is sourced from PubChem (CID 142559998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).