2-fluoro-6-methyl-4-methylsulfanylphenol;methane

C9H13FOS — CID 142559997

IUPAC2-fluoro-6-methyl-4-methylsulfanylphenol;methane
SMILESC.CSc1cc(C)c(O)c(F)c1
InChIInChI=1S/C8H9FOS.CH4/c1-5-3-6(11-2)4-7(9)8(5)10;/h3-4,10H,1-2H3;1H4
InChIKeyUNWDZTYGWCQVAN-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.20
Rot. Bonds1

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

2-fluoro-6-methyl-4-methylsulfanylphenol;methane (PubChem CID 142559997) has the molecular formula C9H13FOS and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-fluoro-6-methyl-4-methylsulfanylphenol;methane.

Molecular Properties

Compound Name2-fluoro-6-methyl-4-methylsulfanylphenol;methane
PubChem CID142559997
Molecular FormulaC9H13FOS
Molecular Weight188.27 g/mol
Exact Mass188.07
IUPAC Name2-fluoro-6-methyl-4-methylsulfanylphenol;methane
SMILESC.CSc1cc(C)c(O)c(F)c1
InChIInChI=1S/C8H9FOS.CH4/c1-5-3-6(11-2)4-7(9)8(5)10;/h3-4,10H,1-2H3;1H4
InChIKeyUNWDZTYGWCQVAN-UHFFFAOYSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-4-methylsulfanylphenol;methane?
The IUPAC name of 2-fluoro-6-methyl-4-methylsulfanylphenol;methane (CID 142559997) is 2-fluoro-6-methyl-4-methylsulfanylphenol;methane.
What is the SMILES notation for 2-fluoro-6-methyl-4-methylsulfanylphenol;methane?
The canonical SMILES for 2-fluoro-6-methyl-4-methylsulfanylphenol;methane is C.CSc1cc(C)c(O)c(F)c1.
What is the InChIKey of 2-fluoro-6-methyl-4-methylsulfanylphenol;methane?
The InChIKey is UNWDZTYGWCQVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FOS.CH4/c1-5-3-6(11-2)4-7(9)8(5)10;/h3-4,10H,1-2H3;1H4.
What are the key properties of 2-fluoro-6-methyl-4-methylsulfanylphenol;methane?
2-fluoro-6-methyl-4-methylsulfanylphenol;methane has a molecular weight of 188.27 g/mol, XLogP of 3.20, 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;methane is sourced from PubChem (CID 142559997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).