2-benzylsulfanylpyrazine

C11H10N2S — CID 22923306

IUPAC2-benzylsulfanylpyrazine
SMILESc1ccc(CSc2cnccn2)cc1
InChIInChI=1S/C11H10N2S/c1-2-4-10(5-3-1)9-14-11-8-12-6-7-13-11/h1-8H,9H2
InChIKeyHGSKLZKJIXMLDL-UHFFFAOYSA-N
MW202.28 g/mol
LogP2.77
Rot. Bonds3

About 2-benzylsulfanylpyrazine

2-benzylsulfanylpyrazine (PubChem CID 22923306) has the molecular formula C11H10N2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 2-benzylsulfanylpyrazine.

Molecular Properties

Compound Name2-benzylsulfanylpyrazine
PubChem CID22923306
Molecular FormulaC11H10N2S
Molecular Weight202.28 g/mol
Exact Mass202.06
IUPAC Name2-benzylsulfanylpyrazine
SMILESc1ccc(CSc2cnccn2)cc1
InChIInChI=1S/C11H10N2S/c1-2-4-10(5-3-1)9-14-11-8-12-6-7-13-11/h1-8H,9H2
InChIKeyHGSKLZKJIXMLDL-UHFFFAOYSA-N
XLogP2.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanylpyrazine?
The IUPAC name of 2-benzylsulfanylpyrazine (CID 22923306) is 2-benzylsulfanylpyrazine.
What is the SMILES notation for 2-benzylsulfanylpyrazine?
The canonical SMILES for 2-benzylsulfanylpyrazine is c1ccc(CSc2cnccn2)cc1.
What is the InChIKey of 2-benzylsulfanylpyrazine?
The InChIKey is HGSKLZKJIXMLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S/c1-2-4-10(5-3-1)9-14-11-8-12-6-7-13-11/h1-8H,9H2.
What are the key properties of 2-benzylsulfanylpyrazine?
2-benzylsulfanylpyrazine has a molecular weight of 202.28 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanylpyrazine is sourced from PubChem (CID 22923306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).