2-(2-sulfanylphenyl)ethanol

C8H10OS — CID 11240608

IUPAC2-(2-sulfanylphenyl)ethanol
SMILESOCCc1ccccc1S
InChIInChI=1S/C8H10OS/c9-6-5-7-3-1-2-4-8(7)10/h1-4,9-10H,5-6H2
InChIKeyWHJDCSZIFFAULQ-UHFFFAOYSA-N
MW154.23 g/mol
LogP1.51
Rot. Bonds2

About 2-(2-sulfanylphenyl)ethanol

2-(2-sulfanylphenyl)ethanol (PubChem CID 11240608) has the molecular formula C8H10OS and a molecular weight of 154.23 g/mol. Its IUPAC name is 2-(2-sulfanylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-sulfanylphenyl)ethanol
PubChem CID11240608
Molecular FormulaC8H10OS
Molecular Weight154.23 g/mol
Exact Mass154.05
IUPAC Name2-(2-sulfanylphenyl)ethanol
SMILESOCCc1ccccc1S
InChIInChI=1S/C8H10OS/c9-6-5-7-3-1-2-4-8(7)10/h1-4,9-10H,5-6H2
InChIKeyWHJDCSZIFFAULQ-UHFFFAOYSA-N
XLogP1.51
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 51.51
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 2-(2-sulfanylphenyl)ethanol?
The IUPAC name of 2-(2-sulfanylphenyl)ethanol (CID 11240608) is 2-(2-sulfanylphenyl)ethanol.
What is the SMILES notation for 2-(2-sulfanylphenyl)ethanol?
The canonical SMILES for 2-(2-sulfanylphenyl)ethanol is OCCc1ccccc1S.
What is the InChIKey of 2-(2-sulfanylphenyl)ethanol?
The InChIKey is WHJDCSZIFFAULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS/c9-6-5-7-3-1-2-4-8(7)10/h1-4,9-10H,5-6H2.
What are the key properties of 2-(2-sulfanylphenyl)ethanol?
2-(2-sulfanylphenyl)ethanol has a molecular weight of 154.23 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-sulfanylphenyl)ethanol is sourced from PubChem (CID 11240608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).