1-(4-fluorophenyl)-2-sulfanylethanol

C8H9FOS — CID 10654768

IUPAC1-(4-fluorophenyl)-2-sulfanylethanol
SMILESOC(CS)c1ccc(F)cc1
InChIInChI=1S/C8H9FOS/c9-7-3-1-6(2-4-7)8(10)5-11/h1-4,8,10-11H,5H2
InChIKeyFLUPOYHSAMTHRW-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.79
Rot. Bonds2

About 1-(4-fluorophenyl)-2-sulfanylethanol

1-(4-fluorophenyl)-2-sulfanylethanol (PubChem CID 10654768) has the molecular formula C8H9FOS and a molecular weight of 172.22 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-sulfanylethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-sulfanylethanol
PubChem CID10654768
Molecular FormulaC8H9FOS
Molecular Weight172.22 g/mol
Exact Mass172.04
IUPAC Name1-(4-fluorophenyl)-2-sulfanylethanol
SMILESOC(CS)c1ccc(F)cc1
InChIInChI=1S/C8H9FOS/c9-7-3-1-6(2-4-7)8(10)5-11/h1-4,8,10-11H,5H2
InChIKeyFLUPOYHSAMTHRW-UHFFFAOYSA-N
XLogP1.79
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-sulfanylethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-sulfanylethanol (CID 10654768) is 1-(4-fluorophenyl)-2-sulfanylethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-sulfanylethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-sulfanylethanol is OC(CS)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-sulfanylethanol?
The InChIKey is FLUPOYHSAMTHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FOS/c9-7-3-1-6(2-4-7)8(10)5-11/h1-4,8,10-11H,5H2.
What are the key properties of 1-(4-fluorophenyl)-2-sulfanylethanol?
1-(4-fluorophenyl)-2-sulfanylethanol has a molecular weight of 172.22 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-sulfanylethanol is sourced from PubChem (CID 10654768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).