(1R)-1-(2-pyridin-2-ylsulfanylphenyl)ethanol

C13H13NOS — CID 78951870

IUPAC(1R)-1-(2-pyridin-2-ylsulfanylphenyl)ethanol
SMILESC[C@@H](O)c1ccccc1Sc1ccccn1
InChIInChI=1S/C13H13NOS/c1-10(15)11-6-2-3-7-12(11)16-13-8-4-5-9-14-13/h2-10,15H,1H3/t10-/m1/s1
InChIKeyGZIUGWJVFVCHSN-SNVBAGLBSA-N
MW231.32 g/mol
LogP3.29
Rot. Bonds3

About (1R)-1-(2-pyridin-2-ylsulfanylphenyl)ethanol

(1R)-1-(2-pyridin-2-ylsulfanylphenyl)ethanol (PubChem CID 78951870) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is (1R)-1-(2-pyridin-2-ylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(2-pyridin-2-ylsulfanylphenyl)ethanol
PubChem CID78951870
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name(1R)-1-(2-pyridin-2-ylsulfanylphenyl)ethanol
SMILESC[C@@H](O)c1ccccc1Sc1ccccn1
InChIInChI=1S/C13H13NOS/c1-10(15)11-6-2-3-7-12(11)16-13-8-4-5-9-14-13/h2-10,15H,1H3/t10-/m1/s1
InChIKeyGZIUGWJVFVCHSN-SNVBAGLBSA-N
XLogP3.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-pyridin-2-ylsulfanylphenyl)ethanol?
The IUPAC name of (1R)-1-(2-pyridin-2-ylsulfanylphenyl)ethanol (CID 78951870) is (1R)-1-(2-pyridin-2-ylsulfanylphenyl)ethanol.
What is the SMILES notation for (1R)-1-(2-pyridin-2-ylsulfanylphenyl)ethanol?
The canonical SMILES for (1R)-1-(2-pyridin-2-ylsulfanylphenyl)ethanol is C[C@@H](O)c1ccccc1Sc1ccccn1.
What is the InChIKey of (1R)-1-(2-pyridin-2-ylsulfanylphenyl)ethanol?
The InChIKey is GZIUGWJVFVCHSN-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H13NOS/c1-10(15)11-6-2-3-7-12(11)16-13-8-4-5-9-14-13/h2-10,15H,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-(2-pyridin-2-ylsulfanylphenyl)ethanol?
(1R)-1-(2-pyridin-2-ylsulfanylphenyl)ethanol has a molecular weight of 231.32 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-pyridin-2-ylsulfanylphenyl)ethanol is sourced from PubChem (CID 78951870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).