2-pyrazin-2-ylsulfanylpyrazine

C8H6N4S — CID 90001780

IUPAC2-pyrazin-2-ylsulfanylpyrazine
SMILESc1cnc(Sc2cnccn2)cn1
InChIInChI=1S/C8H6N4S/c1-3-11-7(5-9-1)13-8-6-10-2-4-12-8/h1-6H
InChIKeyPOLQQBIFPAOQQD-UHFFFAOYSA-N
MW190.23 g/mol
LogP1.42
Rot. Bonds2

About 2-pyrazin-2-ylsulfanylpyrazine

2-pyrazin-2-ylsulfanylpyrazine (PubChem CID 90001780) has the molecular formula C8H6N4S and a molecular weight of 190.23 g/mol. Its IUPAC name is 2-pyrazin-2-ylsulfanylpyrazine.

Molecular Properties

Compound Name2-pyrazin-2-ylsulfanylpyrazine
PubChem CID90001780
Molecular FormulaC8H6N4S
Molecular Weight190.23 g/mol
Exact Mass190.03
IUPAC Name2-pyrazin-2-ylsulfanylpyrazine
SMILESc1cnc(Sc2cnccn2)cn1
InChIInChI=1S/C8H6N4S/c1-3-11-7(5-9-1)13-8-6-10-2-4-12-8/h1-6H
InChIKeyPOLQQBIFPAOQQD-UHFFFAOYSA-N
XLogP1.42
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-ylsulfanylpyrazine?
The IUPAC name of 2-pyrazin-2-ylsulfanylpyrazine (CID 90001780) is 2-pyrazin-2-ylsulfanylpyrazine.
What is the SMILES notation for 2-pyrazin-2-ylsulfanylpyrazine?
The canonical SMILES for 2-pyrazin-2-ylsulfanylpyrazine is c1cnc(Sc2cnccn2)cn1.
What is the InChIKey of 2-pyrazin-2-ylsulfanylpyrazine?
The InChIKey is POLQQBIFPAOQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4S/c1-3-11-7(5-9-1)13-8-6-10-2-4-12-8/h1-6H.
What are the key properties of 2-pyrazin-2-ylsulfanylpyrazine?
2-pyrazin-2-ylsulfanylpyrazine has a molecular weight of 190.23 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-ylsulfanylpyrazine is sourced from PubChem (CID 90001780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).