2-ethylsulfanylpyrazine

C6H8N2S — CID 528051

IUPAC2-ethylsulfanylpyrazine
SMILESCCSc1cnccn1
InChIInChI=1S/C6H8N2S/c1-2-9-6-5-7-3-4-8-6/h3-5H,2H2,1H3
InChIKeyXOBSTMSWRISSIN-UHFFFAOYSA-N
MW140.21 g/mol
LogP1.59
Rot. Bonds2

About 2-ethylsulfanylpyrazine

2-ethylsulfanylpyrazine (PubChem CID 528051) has the molecular formula C6H8N2S and a molecular weight of 140.21 g/mol. Its IUPAC name is 2-ethylsulfanylpyrazine.

Molecular Properties

Compound Name2-ethylsulfanylpyrazine
PubChem CID528051
Molecular FormulaC6H8N2S
Molecular Weight140.21 g/mol
Exact Mass140.04
IUPAC Name2-ethylsulfanylpyrazine
SMILESCCSc1cnccn1
InChIInChI=1S/C6H8N2S/c1-2-9-6-5-7-3-4-8-6/h3-5H,2H2,1H3
InChIKeyXOBSTMSWRISSIN-UHFFFAOYSA-N
XLogP1.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethylsulfanylpyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanylpyrazine?
The IUPAC name of 2-ethylsulfanylpyrazine (CID 528051) is 2-ethylsulfanylpyrazine.
What is the SMILES notation for 2-ethylsulfanylpyrazine?
The canonical SMILES for 2-ethylsulfanylpyrazine is CCSc1cnccn1.
What is the InChIKey of 2-ethylsulfanylpyrazine?
The InChIKey is XOBSTMSWRISSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S/c1-2-9-6-5-7-3-4-8-6/h3-5H,2H2,1H3.
What are the key properties of 2-ethylsulfanylpyrazine?
2-ethylsulfanylpyrazine has a molecular weight of 140.21 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanylpyrazine is sourced from PubChem (CID 528051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).