2-pyrazin-2-ylpyridine-3-thiol

C9H7N3S — CID 163650675

IUPAC2-pyrazin-2-ylpyridine-3-thiol
SMILESSc1cccnc1-c1cnccn1
InChIInChI=1S/C9H7N3S/c13-8-2-1-3-12-9(8)7-6-10-4-5-11-7/h1-6,13H
InChIKeyZMSLUVCWVTYKEQ-UHFFFAOYSA-N
MW189.24 g/mol
LogP1.83
Rot. Bonds1

About 2-pyrazin-2-ylpyridine-3-thiol

2-pyrazin-2-ylpyridine-3-thiol (PubChem CID 163650675) has the molecular formula C9H7N3S and a molecular weight of 189.24 g/mol. Its IUPAC name is 2-pyrazin-2-ylpyridine-3-thiol.

Molecular Properties

Compound Name2-pyrazin-2-ylpyridine-3-thiol
PubChem CID163650675
Molecular FormulaC9H7N3S
Molecular Weight189.24 g/mol
Exact Mass189.04
IUPAC Name2-pyrazin-2-ylpyridine-3-thiol
SMILESSc1cccnc1-c1cnccn1
InChIInChI=1S/C9H7N3S/c13-8-2-1-3-12-9(8)7-6-10-4-5-11-7/h1-6,13H
InChIKeyZMSLUVCWVTYKEQ-UHFFFAOYSA-N
XLogP1.83
TPSA38.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

CID 140696280
CID 140696280
tris(2-pyrazin-2-ylpyrazine);ruthenium(1+)
CID 138986841
2-(2-pyridin-2-ylphenyl)pyrazine
CID 91494990
2-pyrazin-2-yl-6-pyridin-2-ylpyrazine
CID 174709673
iron;2-(6-pyrazin-2-yl-2-pyridinyl)pyrazine
CID 175253430
2-(3-methyl-5-pyridin-2-ylphenyl)pyrazine
CID 144553934
2-(2,6-dimethylphenyl)pyrazine
CID 91666747
6-(5-pyridin-2-ylpyrazin-2-yl)pyridine-3-thiol
CID 136854518
2-pyrazin-2-yl-4-pyridin-2-ylpyrimidine
CID 141116052
2-(4-pyrazin-2-yl-2,5-dipyridin-2-yl-1H-pyrrol-3-yl)pyrazine
CID 10499814
5-pyrazin-2-yl-2-pyridin-2-yl-4-pyridin-3-ylpyrimidine
CID 4604268
2-(3-methyl-2-pyridinyl)benzenethiol
CID 137155222

Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-ylpyridine-3-thiol?
The IUPAC name of 2-pyrazin-2-ylpyridine-3-thiol (CID 163650675) is 2-pyrazin-2-ylpyridine-3-thiol.
What is the SMILES notation for 2-pyrazin-2-ylpyridine-3-thiol?
The canonical SMILES for 2-pyrazin-2-ylpyridine-3-thiol is Sc1cccnc1-c1cnccn1.
What is the InChIKey of 2-pyrazin-2-ylpyridine-3-thiol?
The InChIKey is ZMSLUVCWVTYKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3S/c13-8-2-1-3-12-9(8)7-6-10-4-5-11-7/h1-6,13H.
What are the key properties of 2-pyrazin-2-ylpyridine-3-thiol?
2-pyrazin-2-ylpyridine-3-thiol has a molecular weight of 189.24 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-ylpyridine-3-thiol is sourced from PubChem (CID 163650675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).