2-pyrazin-2-ylsulfinylpyrazine

C8H6N4OS — CID 54418956

IUPAC2-pyrazin-2-ylsulfinylpyrazine
SMILESO=S(c1cnccn1)c1cnccn1
InChIInChI=1S/C8H6N4OS/c13-14(7-5-9-1-3-11-7)8-6-10-2-4-12-8/h1-6H
InChIKeyVZLHCSDPWIYLKX-UHFFFAOYSA-N
MW206.23 g/mol
LogP0.43
Rot. Bonds2

About 2-pyrazin-2-ylsulfinylpyrazine

2-pyrazin-2-ylsulfinylpyrazine (PubChem CID 54418956) has the molecular formula C8H6N4OS and a molecular weight of 206.23 g/mol. Its IUPAC name is 2-pyrazin-2-ylsulfinylpyrazine.

Molecular Properties

Compound Name2-pyrazin-2-ylsulfinylpyrazine
PubChem CID54418956
Molecular FormulaC8H6N4OS
Molecular Weight206.23 g/mol
Exact Mass206.03
IUPAC Name2-pyrazin-2-ylsulfinylpyrazine
SMILESO=S(c1cnccn1)c1cnccn1
InChIInChI=1S/C8H6N4OS/c13-14(7-5-9-1-3-11-7)8-6-10-2-4-12-8/h1-6H
InChIKeyVZLHCSDPWIYLKX-UHFFFAOYSA-N
XLogP0.43
TPSA68.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-ylsulfinylpyrazine?
The IUPAC name of 2-pyrazin-2-ylsulfinylpyrazine (CID 54418956) is 2-pyrazin-2-ylsulfinylpyrazine.
What is the SMILES notation for 2-pyrazin-2-ylsulfinylpyrazine?
The canonical SMILES for 2-pyrazin-2-ylsulfinylpyrazine is O=S(c1cnccn1)c1cnccn1.
What is the InChIKey of 2-pyrazin-2-ylsulfinylpyrazine?
The InChIKey is VZLHCSDPWIYLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4OS/c13-14(7-5-9-1-3-11-7)8-6-10-2-4-12-8/h1-6H.
What are the key properties of 2-pyrazin-2-ylsulfinylpyrazine?
2-pyrazin-2-ylsulfinylpyrazine has a molecular weight of 206.23 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-ylsulfinylpyrazine is sourced from PubChem (CID 54418956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).