2-(4-methylphenyl)sulfanylpyridin-3-ol

C12H11NOS — CID 902077

IUPAC2-(4-methylphenyl)sulfanylpyridin-3-ol
SMILESCc1ccc(Sc2ncccc2O)cc1
InChIInChI=1S/C12H11NOS/c1-9-4-6-10(7-5-9)15-12-11(14)3-2-8-13-12/h2-8,14H,1H3
InChIKeyPKZLWZJDBTZEMX-UHFFFAOYSA-N
MW217.29 g/mol
LogP3.25
Rot. Bonds2

About 2-(4-methylphenyl)sulfanylpyridin-3-ol

2-(4-methylphenyl)sulfanylpyridin-3-ol (PubChem CID 902077) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanylpyridin-3-ol.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanylpyridin-3-ol
PubChem CID902077
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name2-(4-methylphenyl)sulfanylpyridin-3-ol
SMILESCc1ccc(Sc2ncccc2O)cc1
InChIInChI=1S/C12H11NOS/c1-9-4-6-10(7-5-9)15-12-11(14)3-2-8-13-12/h2-8,14H,1H3
InChIKeyPKZLWZJDBTZEMX-UHFFFAOYSA-N
XLogP3.25
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanylpyridin-3-ol?
The IUPAC name of 2-(4-methylphenyl)sulfanylpyridin-3-ol (CID 902077) is 2-(4-methylphenyl)sulfanylpyridin-3-ol.
What is the SMILES notation for 2-(4-methylphenyl)sulfanylpyridin-3-ol?
The canonical SMILES for 2-(4-methylphenyl)sulfanylpyridin-3-ol is Cc1ccc(Sc2ncccc2O)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanylpyridin-3-ol?
The InChIKey is PKZLWZJDBTZEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c1-9-4-6-10(7-5-9)15-12-11(14)3-2-8-13-12/h2-8,14H,1H3.
What are the key properties of 2-(4-methylphenyl)sulfanylpyridin-3-ol?
2-(4-methylphenyl)sulfanylpyridin-3-ol has a molecular weight of 217.29 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanylpyridin-3-ol is sourced from PubChem (CID 902077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).