lithium 5-methylpyrazine-2-sulfinate

C5H5LiN2O2S — CID 170898006

IUPAClithium 5-methylpyrazine-2-sulfinate
SMILESCc1cnc(S(=O)[O-])cn1.[Li+]
InChIInChI=1S/C5H6N2O2S.Li/c1-4-2-7-5(3-6-4)10(8)9;/h2-3H,1H3,(H,8,9);/q;+1/p-1
InChIKeyANJQGUHJGWKLJJ-UHFFFAOYSA-M
MW164.12 g/mol
LogP-2.97
Rot. Bonds1

About lithium 5-methylpyrazine-2-sulfinate

lithium 5-methylpyrazine-2-sulfinate (PubChem CID 170898006) has the molecular formula C5H5LiN2O2S and a molecular weight of 164.12 g/mol. Its IUPAC name is lithium 5-methylpyrazine-2-sulfinate.

Molecular Properties

Compound Namelithium 5-methylpyrazine-2-sulfinate
PubChem CID170898006
Molecular FormulaC5H5LiN2O2S
Molecular Weight164.12 g/mol
Exact Mass164.02
IUPAC Namelithium 5-methylpyrazine-2-sulfinate
SMILESCc1cnc(S(=O)[O-])cn1.[Li+]
InChIInChI=1S/C5H6N2O2S.Li/c1-4-2-7-5(3-6-4)10(8)9;/h2-3H,1H3,(H,8,9);/q;+1/p-1
InChIKeyANJQGUHJGWKLJJ-UHFFFAOYSA-M
XLogP-2.97
TPSA65.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.12
LogP ≤ 5-2.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze lithium 5-methylpyrazine-2-sulfinate 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 lithium 5-methylpyrazine-2-sulfinate?
The IUPAC name of lithium 5-methylpyrazine-2-sulfinate (CID 170898006) is lithium 5-methylpyrazine-2-sulfinate.
What is the SMILES notation for lithium 5-methylpyrazine-2-sulfinate?
The canonical SMILES for lithium 5-methylpyrazine-2-sulfinate is Cc1cnc(S(=O)[O-])cn1.[Li+].
What is the InChIKey of lithium 5-methylpyrazine-2-sulfinate?
The InChIKey is ANJQGUHJGWKLJJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H6N2O2S.Li/c1-4-2-7-5(3-6-4)10(8)9;/h2-3H,1H3,(H,8,9);/q;+1/p-1.
What are the key properties of lithium 5-methylpyrazine-2-sulfinate?
lithium 5-methylpyrazine-2-sulfinate has a molecular weight of 164.12 g/mol, XLogP of -2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-methylpyrazine-2-sulfinate is sourced from PubChem (CID 170898006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).