1-(4-hydroxyphenyl)-2-pyrazin-2-ylsulfanylethanone

C12H10N2O2S — CID 63381103

IUPAC1-(4-hydroxyphenyl)-2-pyrazin-2-ylsulfanylethanone
SMILESO=C(CSc1cnccn1)c1ccc(O)cc1
InChIInChI=1S/C12H10N2O2S/c15-10-3-1-9(2-4-10)11(16)8-17-12-7-13-5-6-14-12/h1-7,15H,8H2
InChIKeyAQPVILJYHWHWHK-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.16
Rot. Bonds4

About 1-(4-hydroxyphenyl)-2-pyrazin-2-ylsulfanylethanone

1-(4-hydroxyphenyl)-2-pyrazin-2-ylsulfanylethanone (PubChem CID 63381103) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-2-pyrazin-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-2-pyrazin-2-ylsulfanylethanone
PubChem CID63381103
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC Name1-(4-hydroxyphenyl)-2-pyrazin-2-ylsulfanylethanone
SMILESO=C(CSc1cnccn1)c1ccc(O)cc1
InChIInChI=1S/C12H10N2O2S/c15-10-3-1-9(2-4-10)11(16)8-17-12-7-13-5-6-14-12/h1-7,15H,8H2
InChIKeyAQPVILJYHWHWHK-UHFFFAOYSA-N
XLogP2.16
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-hydroxyphenyl)-2-pyrazin-2-ylsulfanylethanone 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 1-(4-hydroxyphenyl)-2-pyrazin-2-ylsulfanylethanone?
The IUPAC name of 1-(4-hydroxyphenyl)-2-pyrazin-2-ylsulfanylethanone (CID 63381103) is 1-(4-hydroxyphenyl)-2-pyrazin-2-ylsulfanylethanone.
What is the SMILES notation for 1-(4-hydroxyphenyl)-2-pyrazin-2-ylsulfanylethanone?
The canonical SMILES for 1-(4-hydroxyphenyl)-2-pyrazin-2-ylsulfanylethanone is O=C(CSc1cnccn1)c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-2-pyrazin-2-ylsulfanylethanone?
The InChIKey is AQPVILJYHWHWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S/c15-10-3-1-9(2-4-10)11(16)8-17-12-7-13-5-6-14-12/h1-7,15H,8H2.
What are the key properties of 1-(4-hydroxyphenyl)-2-pyrazin-2-ylsulfanylethanone?
1-(4-hydroxyphenyl)-2-pyrazin-2-ylsulfanylethanone has a molecular weight of 246.29 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-2-pyrazin-2-ylsulfanylethanone is sourced from PubChem (CID 63381103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).