4-fluoro-2-methylsulfanylphenol

C7H7FOS — CID 13199340

IUPAC4-fluoro-2-methylsulfanylphenol
SMILESCSc1cc(F)ccc1O
InChIInChI=1S/C7H7FOS/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,1H3
InChIKeyMBEKFWUOYFSSIH-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.25
Rot. Bonds1

About 4-fluoro-2-methylsulfanylphenol

4-fluoro-2-methylsulfanylphenol (PubChem CID 13199340) has the molecular formula C7H7FOS and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-fluoro-2-methylsulfanylphenol.

Molecular Properties

Compound Name4-fluoro-2-methylsulfanylphenol
PubChem CID13199340
Molecular FormulaC7H7FOS
Molecular Weight158.20 g/mol
Exact Mass158.02
IUPAC Name4-fluoro-2-methylsulfanylphenol
SMILESCSc1cc(F)ccc1O
InChIInChI=1S/C7H7FOS/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,1H3
InChIKeyMBEKFWUOYFSSIH-UHFFFAOYSA-N
XLogP2.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methylsulfanylphenol?
The IUPAC name of 4-fluoro-2-methylsulfanylphenol (CID 13199340) is 4-fluoro-2-methylsulfanylphenol.
What is the SMILES notation for 4-fluoro-2-methylsulfanylphenol?
The canonical SMILES for 4-fluoro-2-methylsulfanylphenol is CSc1cc(F)ccc1O.
What is the InChIKey of 4-fluoro-2-methylsulfanylphenol?
The InChIKey is MBEKFWUOYFSSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FOS/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,1H3.
What are the key properties of 4-fluoro-2-methylsulfanylphenol?
4-fluoro-2-methylsulfanylphenol has a molecular weight of 158.20 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methylsulfanylphenol is sourced from PubChem (CID 13199340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).