2-benzylsulfanylpyridin-3-ol

C12H11NOS — CID 501233

IUPAC2-benzylsulfanylpyridin-3-ol
SMILESOc1cccnc1SCc1ccccc1
InChIInChI=1S/C12H11NOS/c14-11-7-4-8-13-12(11)15-9-10-5-2-1-3-6-10/h1-8,14H,9H2
InChIKeyAWJZKOWFWWMQML-UHFFFAOYSA-N
MW217.29 g/mol
LogP3.08
Rot. Bonds3

About 2-benzylsulfanylpyridin-3-ol

2-benzylsulfanylpyridin-3-ol (PubChem CID 501233) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-benzylsulfanylpyridin-3-ol.

Molecular Properties

Compound Name2-benzylsulfanylpyridin-3-ol
PubChem CID501233
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name2-benzylsulfanylpyridin-3-ol
SMILESOc1cccnc1SCc1ccccc1
InChIInChI=1S/C12H11NOS/c14-11-7-4-8-13-12(11)15-9-10-5-2-1-3-6-10/h1-8,14H,9H2
InChIKeyAWJZKOWFWWMQML-UHFFFAOYSA-N
XLogP3.08
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanylpyridin-3-ol?
The IUPAC name of 2-benzylsulfanylpyridin-3-ol (CID 501233) is 2-benzylsulfanylpyridin-3-ol.
What is the SMILES notation for 2-benzylsulfanylpyridin-3-ol?
The canonical SMILES for 2-benzylsulfanylpyridin-3-ol is Oc1cccnc1SCc1ccccc1.
What is the InChIKey of 2-benzylsulfanylpyridin-3-ol?
The InChIKey is AWJZKOWFWWMQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c14-11-7-4-8-13-12(11)15-9-10-5-2-1-3-6-10/h1-8,14H,9H2.
What are the key properties of 2-benzylsulfanylpyridin-3-ol?
2-benzylsulfanylpyridin-3-ol has a molecular weight of 217.29 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanylpyridin-3-ol is sourced from PubChem (CID 501233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).