3-ethyl-1-sulfanyl-2H-pyrazine

C6H10N2S — CID 87134960

IUPAC3-ethyl-1-sulfanyl-2H-pyrazine
SMILESCCC1=NC=CN(S)C1
InChIInChI=1S/C6H10N2S/c1-2-6-5-8(9)4-3-7-6/h3-4,9H,2,5H2,1H3
InChIKeyLGGACMANFFFUFE-UHFFFAOYSA-N
MW142.23 g/mol
LogP1.47
Rot. Bonds1

About 3-ethyl-1-sulfanyl-2H-pyrazine

3-ethyl-1-sulfanyl-2H-pyrazine (PubChem CID 87134960) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 3-ethyl-1-sulfanyl-2H-pyrazine.

Molecular Properties

Compound Name3-ethyl-1-sulfanyl-2H-pyrazine
PubChem CID87134960
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name3-ethyl-1-sulfanyl-2H-pyrazine
SMILESCCC1=NC=CN(S)C1
InChIInChI=1S/C6H10N2S/c1-2-6-5-8(9)4-3-7-6/h3-4,9H,2,5H2,1H3
InChIKeyLGGACMANFFFUFE-UHFFFAOYSA-N
XLogP1.47
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-ethyl-1-sulfanyl-2H-pyrazine 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 3-ethyl-1-sulfanyl-2H-pyrazine?
The IUPAC name of 3-ethyl-1-sulfanyl-2H-pyrazine (CID 87134960) is 3-ethyl-1-sulfanyl-2H-pyrazine.
What is the SMILES notation for 3-ethyl-1-sulfanyl-2H-pyrazine?
The canonical SMILES for 3-ethyl-1-sulfanyl-2H-pyrazine is CCC1=NC=CN(S)C1.
What is the InChIKey of 3-ethyl-1-sulfanyl-2H-pyrazine?
The InChIKey is LGGACMANFFFUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-2-6-5-8(9)4-3-7-6/h3-4,9H,2,5H2,1H3.
What are the key properties of 3-ethyl-1-sulfanyl-2H-pyrazine?
3-ethyl-1-sulfanyl-2H-pyrazine has a molecular weight of 142.23 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-sulfanyl-2H-pyrazine is sourced from PubChem (CID 87134960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).