2-methylsulfanylpyrazine

C5H6N2S — CID 519907

IUPAC2-methylsulfanylpyrazine
SMILESCSc1cnccn1
InChIInChI=1S/C5H6N2S/c1-8-5-4-6-2-3-7-5/h2-4H,1H3
InChIKeyKBPBOWBQRUXMFV-UHFFFAOYSA-N
MW126.18 g/mol
LogP1.20
Rot. Bonds1

About 2-methylsulfanylpyrazine

2-methylsulfanylpyrazine (PubChem CID 519907) has the molecular formula C5H6N2S and a molecular weight of 126.18 g/mol. Its IUPAC name is 2-methylsulfanylpyrazine.

Molecular Properties

Compound Name2-methylsulfanylpyrazine
PubChem CID519907
Molecular FormulaC5H6N2S
Molecular Weight126.18 g/mol
Exact Mass126.03
IUPAC Name2-methylsulfanylpyrazine
SMILESCSc1cnccn1
InChIInChI=1S/C5H6N2S/c1-8-5-4-6-2-3-7-5/h2-4H,1H3
InChIKeyKBPBOWBQRUXMFV-UHFFFAOYSA-N
XLogP1.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.18
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylpyrazine?
The IUPAC name of 2-methylsulfanylpyrazine (CID 519907) is 2-methylsulfanylpyrazine.
What is the SMILES notation for 2-methylsulfanylpyrazine?
The canonical SMILES for 2-methylsulfanylpyrazine is CSc1cnccn1.
What is the InChIKey of 2-methylsulfanylpyrazine?
The InChIKey is KBPBOWBQRUXMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2S/c1-8-5-4-6-2-3-7-5/h2-4H,1H3.
What are the key properties of 2-methylsulfanylpyrazine?
2-methylsulfanylpyrazine has a molecular weight of 126.18 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylpyrazine is sourced from PubChem (CID 519907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).