1-(4-sulfanylphenyl)ethanol

C8H10OS — CID 14388411

IUPAC1-(4-sulfanylphenyl)ethanol
SMILESCC(O)c1ccc(S)cc1
InChIInChI=1S/C8H10OS/c1-6(9)7-2-4-8(10)5-3-7/h2-6,9-10H,1H3
InChIKeyOEFNBHQZFVQRJR-UHFFFAOYSA-N
MW154.23 g/mol
LogP2.03
Rot. Bonds1

About 1-(4-sulfanylphenyl)ethanol

1-(4-sulfanylphenyl)ethanol (PubChem CID 14388411) has the molecular formula C8H10OS and a molecular weight of 154.23 g/mol. Its IUPAC name is 1-(4-sulfanylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-sulfanylphenyl)ethanol
PubChem CID14388411
Molecular FormulaC8H10OS
Molecular Weight154.23 g/mol
Exact Mass154.05
IUPAC Name1-(4-sulfanylphenyl)ethanol
SMILESCC(O)c1ccc(S)cc1
InChIInChI=1S/C8H10OS/c1-6(9)7-2-4-8(10)5-3-7/h2-6,9-10H,1H3
InChIKeyOEFNBHQZFVQRJR-UHFFFAOYSA-N
XLogP2.03
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 52.03
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-sulfanylphenyl)ethanol?
The IUPAC name of 1-(4-sulfanylphenyl)ethanol (CID 14388411) is 1-(4-sulfanylphenyl)ethanol.
What is the SMILES notation for 1-(4-sulfanylphenyl)ethanol?
The canonical SMILES for 1-(4-sulfanylphenyl)ethanol is CC(O)c1ccc(S)cc1.
What is the InChIKey of 1-(4-sulfanylphenyl)ethanol?
The InChIKey is OEFNBHQZFVQRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS/c1-6(9)7-2-4-8(10)5-3-7/h2-6,9-10H,1H3.
What are the key properties of 1-(4-sulfanylphenyl)ethanol?
1-(4-sulfanylphenyl)ethanol has a molecular weight of 154.23 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-sulfanylphenyl)ethanol is sourced from PubChem (CID 14388411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).