2-ethenylsulfanylpyrazine

C6H6N2S — CID 86076879

IUPAC2-ethenylsulfanylpyrazine
SMILESC=CSc1cnccn1
InChIInChI=1S/C6H6N2S/c1-2-9-6-5-7-3-4-8-6/h2-5H,1H2
InChIKeyIXLASZICOCCGOI-UHFFFAOYSA-N
MW138.19 g/mol
LogP1.71
Rot. Bonds2

About 2-ethenylsulfanylpyrazine

2-ethenylsulfanylpyrazine (PubChem CID 86076879) has the molecular formula C6H6N2S and a molecular weight of 138.19 g/mol. Its IUPAC name is 2-ethenylsulfanylpyrazine.

Molecular Properties

Compound Name2-ethenylsulfanylpyrazine
PubChem CID86076879
Molecular FormulaC6H6N2S
Molecular Weight138.19 g/mol
Exact Mass138.03
IUPAC Name2-ethenylsulfanylpyrazine
SMILESC=CSc1cnccn1
InChIInChI=1S/C6H6N2S/c1-2-9-6-5-7-3-4-8-6/h2-5H,1H2
InChIKeyIXLASZICOCCGOI-UHFFFAOYSA-N
XLogP1.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfanylpyrazine?
The IUPAC name of 2-ethenylsulfanylpyrazine (CID 86076879) is 2-ethenylsulfanylpyrazine.
What is the SMILES notation for 2-ethenylsulfanylpyrazine?
The canonical SMILES for 2-ethenylsulfanylpyrazine is C=CSc1cnccn1.
What is the InChIKey of 2-ethenylsulfanylpyrazine?
The InChIKey is IXLASZICOCCGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2S/c1-2-9-6-5-7-3-4-8-6/h2-5H,1H2.
What are the key properties of 2-ethenylsulfanylpyrazine?
2-ethenylsulfanylpyrazine has a molecular weight of 138.19 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfanylpyrazine is sourced from PubChem (CID 86076879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).