lithium pyridin-2-ylmethanethiolate

C6H6LiNS — CID 20660763

IUPAClithium pyridin-2-ylmethanethiolate
SMILES[Li+].[S-]Cc1ccccn1
InChIInChI=1S/C6H7NS.Li/c8-5-6-3-1-2-4-7-6;/h1-4,8H,5H2;/q;+1/p-1
InChIKeyGEFBFLZYFYUIOU-UHFFFAOYSA-M
MW131.13 g/mol
LogP-1.87
Rot. Bonds1

About lithium pyridin-2-ylmethanethiolate

lithium pyridin-2-ylmethanethiolate (PubChem CID 20660763) has the molecular formula C6H6LiNS and a molecular weight of 131.13 g/mol. Its IUPAC name is lithium pyridin-2-ylmethanethiolate.

Molecular Properties

Compound Namelithium pyridin-2-ylmethanethiolate
PubChem CID20660763
Molecular FormulaC6H6LiNS
Molecular Weight131.13 g/mol
Exact Mass131.04
IUPAC Namelithium pyridin-2-ylmethanethiolate
SMILES[Li+].[S-]Cc1ccccn1
InChIInChI=1S/C6H7NS.Li/c8-5-6-3-1-2-4-7-6;/h1-4,8H,5H2;/q;+1/p-1
InChIKeyGEFBFLZYFYUIOU-UHFFFAOYSA-M
XLogP-1.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-1.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

ethane;pyridin-2-ylmethanamine
CID 90791011
2-(pyridin-2-ylmethylsulfanylmethyl)pyridine
CID 12047870
2-ethylpyridine;sulfane
CID 67363352
2-(chloromethyl)pyridine;hydron;chloride
CID 67269716
pyridin-2-ylmethanol;vanadium
CID 176962038
ethane;2-ethylpyridine
CID 91102000
2-(fluoromethyl)pyridine;hydroiodide
CID 173061202
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
pyridin-2-ylmethanesulfonyl chloride
CID 3707521
2-[[3,5-bis(pyridin-2-ylmethyl)phenyl]methyl]pyridine
CID 102075718
ethane;2-ethylpyridine;methane
CID 142439308
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696

Frequently Asked Questions

What is the IUPAC name of lithium pyridin-2-ylmethanethiolate?
The IUPAC name of lithium pyridin-2-ylmethanethiolate (CID 20660763) is lithium pyridin-2-ylmethanethiolate.
What is the SMILES notation for lithium pyridin-2-ylmethanethiolate?
The canonical SMILES for lithium pyridin-2-ylmethanethiolate is [Li+].[S-]Cc1ccccn1.
What is the InChIKey of lithium pyridin-2-ylmethanethiolate?
The InChIKey is GEFBFLZYFYUIOU-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H7NS.Li/c8-5-6-3-1-2-4-7-6;/h1-4,8H,5H2;/q;+1/p-1.
What are the key properties of lithium pyridin-2-ylmethanethiolate?
lithium pyridin-2-ylmethanethiolate has a molecular weight of 131.13 g/mol, XLogP of -1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium pyridin-2-ylmethanethiolate is sourced from PubChem (CID 20660763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).