(1S)-1-(2-ethylsulfanyl-5-fluorophenyl)ethanol

C10H13FOS — CID 63813957

IUPAC(1S)-1-(2-ethylsulfanyl-5-fluorophenyl)ethanol
SMILESCCSc1ccc(F)cc1[C@H](C)O
InChIInChI=1S/C10H13FOS/c1-3-13-10-5-4-8(11)6-9(10)7(2)12/h4-7,12H,3H2,1-2H3/t7-/m0/s1
InChIKeyQUEAPGWIFWBTRP-ZETCQYMHSA-N
MW200.28 g/mol
LogP2.99
Rot. Bonds3

About (1S)-1-(2-ethylsulfanyl-5-fluorophenyl)ethanol

(1S)-1-(2-ethylsulfanyl-5-fluorophenyl)ethanol (PubChem CID 63813957) has the molecular formula C10H13FOS and a molecular weight of 200.28 g/mol. Its IUPAC name is (1S)-1-(2-ethylsulfanyl-5-fluorophenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(2-ethylsulfanyl-5-fluorophenyl)ethanol
PubChem CID63813957
Molecular FormulaC10H13FOS
Molecular Weight200.28 g/mol
Exact Mass200.07
IUPAC Name(1S)-1-(2-ethylsulfanyl-5-fluorophenyl)ethanol
SMILESCCSc1ccc(F)cc1[C@H](C)O
InChIInChI=1S/C10H13FOS/c1-3-13-10-5-4-8(11)6-9(10)7(2)12/h4-7,12H,3H2,1-2H3/t7-/m0/s1
InChIKeyQUEAPGWIFWBTRP-ZETCQYMHSA-N
XLogP2.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(5-fluoro-2-methylsulfanylphenyl)ethanol
CID 78951625
3-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]sulfanylpropan-1-ol
CID 79026882
(1R)-1-(2-butan-2-ylsulfanyl-5-fluorophenyl)ethanol
CID 63813206
N-ethyl-1-(2-ethylsulfanyl-5-fluorophenyl)ethanamine
CID 43286078
(1R)-1-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanol
CID 104971602
(1S)-1-[5-fluoro-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanol
CID 107762049
(1S)-1-[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]ethanol
CID 78951488
(1R)-1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]ethanol
CID 78952064
(1S)-1-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]ethanol
CID 78951739
(1S)-1-[5-fluoro-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol
CID 114001142
(1S)-1-[5-fluoro-2-(4-methoxyphenyl)sulfanylphenyl]ethanol
CID 63813093
4-fluoro-2-(1-hydroxyethyl)phenol
CID 53406163

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-ethylsulfanyl-5-fluorophenyl)ethanol?
The IUPAC name of (1S)-1-(2-ethylsulfanyl-5-fluorophenyl)ethanol (CID 63813957) is (1S)-1-(2-ethylsulfanyl-5-fluorophenyl)ethanol.
What is the SMILES notation for (1S)-1-(2-ethylsulfanyl-5-fluorophenyl)ethanol?
The canonical SMILES for (1S)-1-(2-ethylsulfanyl-5-fluorophenyl)ethanol is CCSc1ccc(F)cc1[C@H](C)O.
What is the InChIKey of (1S)-1-(2-ethylsulfanyl-5-fluorophenyl)ethanol?
The InChIKey is QUEAPGWIFWBTRP-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13FOS/c1-3-13-10-5-4-8(11)6-9(10)7(2)12/h4-7,12H,3H2,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-1-(2-ethylsulfanyl-5-fluorophenyl)ethanol?
(1S)-1-(2-ethylsulfanyl-5-fluorophenyl)ethanol has a molecular weight of 200.28 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-ethylsulfanyl-5-fluorophenyl)ethanol is sourced from PubChem (CID 63813957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).