2-(pyrazin-2-ylmethylsulfanyl)phenol

C11H10N2OS — CID 62001277

IUPAC2-(pyrazin-2-ylmethylsulfanyl)phenol
SMILESOc1ccccc1SCc1cnccn1
InChIInChI=1S/C11H10N2OS/c14-10-3-1-2-4-11(10)15-8-9-7-12-5-6-13-9/h1-7,14H,8H2
InChIKeyGWEGEMHNHGAOBA-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.47
Rot. Bonds3

About 2-(pyrazin-2-ylmethylsulfanyl)phenol

2-(pyrazin-2-ylmethylsulfanyl)phenol (PubChem CID 62001277) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-(pyrazin-2-ylmethylsulfanyl)phenol.

Molecular Properties

Compound Name2-(pyrazin-2-ylmethylsulfanyl)phenol
PubChem CID62001277
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name2-(pyrazin-2-ylmethylsulfanyl)phenol
SMILESOc1ccccc1SCc1cnccn1
InChIInChI=1S/C11H10N2OS/c14-10-3-1-2-4-11(10)15-8-9-7-12-5-6-13-9/h1-7,14H,8H2
InChIKeyGWEGEMHNHGAOBA-UHFFFAOYSA-N
XLogP2.47
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrazin-2-ylmethylsulfanyl)phenol?
The IUPAC name of 2-(pyrazin-2-ylmethylsulfanyl)phenol (CID 62001277) is 2-(pyrazin-2-ylmethylsulfanyl)phenol.
What is the SMILES notation for 2-(pyrazin-2-ylmethylsulfanyl)phenol?
The canonical SMILES for 2-(pyrazin-2-ylmethylsulfanyl)phenol is Oc1ccccc1SCc1cnccn1.
What is the InChIKey of 2-(pyrazin-2-ylmethylsulfanyl)phenol?
The InChIKey is GWEGEMHNHGAOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c14-10-3-1-2-4-11(10)15-8-9-7-12-5-6-13-9/h1-7,14H,8H2.
What are the key properties of 2-(pyrazin-2-ylmethylsulfanyl)phenol?
2-(pyrazin-2-ylmethylsulfanyl)phenol has a molecular weight of 218.28 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrazin-2-ylmethylsulfanyl)phenol is sourced from PubChem (CID 62001277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).