2-[2-(2-sulfanylethyl)phenyl]ethanol

C10H14OS — CID 140853248

IUPAC2-[2-(2-sulfanylethyl)phenyl]ethanol
SMILESOCCc1ccccc1CCS
InChIInChI=1S/C10H14OS/c11-7-5-9-3-1-2-4-10(9)6-8-12/h1-4,11-12H,5-8H2
InChIKeyQNNOAXISNIJSOC-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.69
Rot. Bonds4

About 2-[2-(2-sulfanylethyl)phenyl]ethanol

2-[2-(2-sulfanylethyl)phenyl]ethanol (PubChem CID 140853248) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 2-[2-(2-sulfanylethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[2-(2-sulfanylethyl)phenyl]ethanol
PubChem CID140853248
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name2-[2-(2-sulfanylethyl)phenyl]ethanol
SMILESOCCc1ccccc1CCS
InChIInChI=1S/C10H14OS/c11-7-5-9-3-1-2-4-10(9)6-8-12/h1-4,11-12H,5-8H2
InChIKeyQNNOAXISNIJSOC-UHFFFAOYSA-N
XLogP1.69
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 117286474
ethanol;2-(2-methylphenyl)ethanol
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2-[2-(2-hydroxyethyl)-4,5-bis(6-sulfanylhexyl)phenyl]ethanol
CID 71478029
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3-(2-hydroxyethyl)-2-sulfanylbenzaldehyde
CID 23188982

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-sulfanylethyl)phenyl]ethanol?
The IUPAC name of 2-[2-(2-sulfanylethyl)phenyl]ethanol (CID 140853248) is 2-[2-(2-sulfanylethyl)phenyl]ethanol.
What is the SMILES notation for 2-[2-(2-sulfanylethyl)phenyl]ethanol?
The canonical SMILES for 2-[2-(2-sulfanylethyl)phenyl]ethanol is OCCc1ccccc1CCS.
What is the InChIKey of 2-[2-(2-sulfanylethyl)phenyl]ethanol?
The InChIKey is QNNOAXISNIJSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c11-7-5-9-3-1-2-4-10(9)6-8-12/h1-4,11-12H,5-8H2.
What are the key properties of 2-[2-(2-sulfanylethyl)phenyl]ethanol?
2-[2-(2-sulfanylethyl)phenyl]ethanol has a molecular weight of 182.29 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-sulfanylethyl)phenyl]ethanol is sourced from PubChem (CID 140853248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).