(1S)-1-(5-fluoro-2-methylsulfanylphenyl)ethanol

C9H11FOS — CID 78951625

IUPAC(1S)-1-(5-fluoro-2-methylsulfanylphenyl)ethanol
SMILESCSc1ccc(F)cc1[C@H](C)O
InChIInChI=1S/C9H11FOS/c1-6(11)8-5-7(10)3-4-9(8)12-2/h3-6,11H,1-2H3/t6-/m0/s1
InChIKeyNKIMCTKGTQOAOL-LURJTMIESA-N
MW186.25 g/mol
LogP2.60
Rot. Bonds2

About (1S)-1-(5-fluoro-2-methylsulfanylphenyl)ethanol

(1S)-1-(5-fluoro-2-methylsulfanylphenyl)ethanol (PubChem CID 78951625) has the molecular formula C9H11FOS and a molecular weight of 186.25 g/mol. Its IUPAC name is (1S)-1-(5-fluoro-2-methylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(5-fluoro-2-methylsulfanylphenyl)ethanol
PubChem CID78951625
Molecular FormulaC9H11FOS
Molecular Weight186.25 g/mol
Exact Mass186.05
IUPAC Name(1S)-1-(5-fluoro-2-methylsulfanylphenyl)ethanol
SMILESCSc1ccc(F)cc1[C@H](C)O
InChIInChI=1S/C9H11FOS/c1-6(11)8-5-7(10)3-4-9(8)12-2/h3-6,11H,1-2H3/t6-/m0/s1
InChIKeyNKIMCTKGTQOAOL-LURJTMIESA-N
XLogP2.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2-ethylsulfanyl-5-fluorophenyl)ethanol
CID 63813957
(1S)-1-[5-fluoro-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanol
CID 107762049
(1R)-1-(2-butan-2-ylsulfanyl-5-fluorophenyl)ethanol
CID 63813206
4-fluoro-2-(1-hydroxyethyl)phenol
CID 53406163
(1S)-1-[5-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol
CID 113298870
(1S)-1-[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]ethanol
CID 78951488
(1R)-1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]ethanol
CID 78952064
3-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]sulfanylpropan-1-ol
CID 79026882
(1R)-1-(2-cyclopentylsulfanyl-5-fluorophenyl)ethanol
CID 63835814
(1S)-1-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]ethanol
CID 78951739
(1S)-1-[5-fluoro-2-(oxetan-3-ylsulfanyl)phenyl]ethanol
CID 79332166
(1R)-1-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanol
CID 104971602

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-fluoro-2-methylsulfanylphenyl)ethanol?
The IUPAC name of (1S)-1-(5-fluoro-2-methylsulfanylphenyl)ethanol (CID 78951625) is (1S)-1-(5-fluoro-2-methylsulfanylphenyl)ethanol.
What is the SMILES notation for (1S)-1-(5-fluoro-2-methylsulfanylphenyl)ethanol?
The canonical SMILES for (1S)-1-(5-fluoro-2-methylsulfanylphenyl)ethanol is CSc1ccc(F)cc1[C@H](C)O.
What is the InChIKey of (1S)-1-(5-fluoro-2-methylsulfanylphenyl)ethanol?
The InChIKey is NKIMCTKGTQOAOL-LURJTMIESA-N. The full InChI is InChI=1S/C9H11FOS/c1-6(11)8-5-7(10)3-4-9(8)12-2/h3-6,11H,1-2H3/t6-/m0/s1.
What are the key properties of (1S)-1-(5-fluoro-2-methylsulfanylphenyl)ethanol?
(1S)-1-(5-fluoro-2-methylsulfanylphenyl)ethanol has a molecular weight of 186.25 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-fluoro-2-methylsulfanylphenyl)ethanol is sourced from PubChem (CID 78951625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).