4-(pyrazin-2-ylmethylsulfanyl)phenol

C11H10N2OS — CID 61031854

IUPAC4-(pyrazin-2-ylmethylsulfanyl)phenol
SMILESOc1ccc(SCc2cnccn2)cc1
InChIInChI=1S/C11H10N2OS/c14-10-1-3-11(4-2-10)15-8-9-7-12-5-6-13-9/h1-7,14H,8H2
InChIKeyGKKVDBFQLVVRCB-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.47
Rot. Bonds3

About 4-(pyrazin-2-ylmethylsulfanyl)phenol

4-(pyrazin-2-ylmethylsulfanyl)phenol (PubChem CID 61031854) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is 4-(pyrazin-2-ylmethylsulfanyl)phenol.

Molecular Properties

Compound Name4-(pyrazin-2-ylmethylsulfanyl)phenol
PubChem CID61031854
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name4-(pyrazin-2-ylmethylsulfanyl)phenol
SMILESOc1ccc(SCc2cnccn2)cc1
InChIInChI=1S/C11H10N2OS/c14-10-1-3-11(4-2-10)15-8-9-7-12-5-6-13-9/h1-7,14H,8H2
InChIKeyGKKVDBFQLVVRCB-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

Analyze 4-(pyrazin-2-ylmethylsulfanyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(pyrazin-2-ylmethylsulfanyl)phenol?
The IUPAC name of 4-(pyrazin-2-ylmethylsulfanyl)phenol (CID 61031854) is 4-(pyrazin-2-ylmethylsulfanyl)phenol.
What is the SMILES notation for 4-(pyrazin-2-ylmethylsulfanyl)phenol?
The canonical SMILES for 4-(pyrazin-2-ylmethylsulfanyl)phenol is Oc1ccc(SCc2cnccn2)cc1.
What is the InChIKey of 4-(pyrazin-2-ylmethylsulfanyl)phenol?
The InChIKey is GKKVDBFQLVVRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c14-10-1-3-11(4-2-10)15-8-9-7-12-5-6-13-9/h1-7,14H,8H2.
What are the key properties of 4-(pyrazin-2-ylmethylsulfanyl)phenol?
4-(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 4-(pyrazin-2-ylmethylsulfanyl)phenol is sourced from PubChem (CID 61031854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).