lithium 3-methoxypyrazine-2-sulfinate

C5H5LiN2O3S — CID 146012652

IUPAClithium 3-methoxypyrazine-2-sulfinate
SMILESCOc1nccnc1S(=O)[O-].[Li+]
InChIInChI=1S/C5H6N2O3S.Li/c1-10-4-5(11(8)9)7-3-2-6-4;/h2-3H,1H3,(H,8,9);/q;+1/p-1
InChIKeyQAJHFZNSKSTJCZ-UHFFFAOYSA-M
MW180.11 g/mol
LogP-3.27
Rot. Bonds2

About lithium 3-methoxypyrazine-2-sulfinate

lithium 3-methoxypyrazine-2-sulfinate (PubChem CID 146012652) has the molecular formula C5H5LiN2O3S and a molecular weight of 180.11 g/mol. Its IUPAC name is lithium 3-methoxypyrazine-2-sulfinate.

Molecular Properties

Compound Namelithium 3-methoxypyrazine-2-sulfinate
PubChem CID146012652
Molecular FormulaC5H5LiN2O3S
Molecular Weight180.11 g/mol
Exact Mass180.02
IUPAC Namelithium 3-methoxypyrazine-2-sulfinate
SMILESCOc1nccnc1S(=O)[O-].[Li+]
InChIInChI=1S/C5H6N2O3S.Li/c1-10-4-5(11(8)9)7-3-2-6-4;/h2-3H,1H3,(H,8,9);/q;+1/p-1
InChIKeyQAJHFZNSKSTJCZ-UHFFFAOYSA-M
XLogP-3.27
TPSA75.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.11
LogP ≤ 5-3.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 3-methoxypyrazine-2-sulfinate?
The IUPAC name of lithium 3-methoxypyrazine-2-sulfinate (CID 146012652) is lithium 3-methoxypyrazine-2-sulfinate.
What is the SMILES notation for lithium 3-methoxypyrazine-2-sulfinate?
The canonical SMILES for lithium 3-methoxypyrazine-2-sulfinate is COc1nccnc1S(=O)[O-].[Li+].
What is the InChIKey of lithium 3-methoxypyrazine-2-sulfinate?
The InChIKey is QAJHFZNSKSTJCZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H6N2O3S.Li/c1-10-4-5(11(8)9)7-3-2-6-4;/h2-3H,1H3,(H,8,9);/q;+1/p-1.
What are the key properties of lithium 3-methoxypyrazine-2-sulfinate?
lithium 3-methoxypyrazine-2-sulfinate has a molecular weight of 180.11 g/mol, XLogP of -3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-methoxypyrazine-2-sulfinate is sourced from PubChem (CID 146012652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).