potassium 2-aminopyridine-3-thiolate

C5H5KN2S — CID 142119104

IUPACpotassium 2-aminopyridine-3-thiolate
SMILESNc1ncccc1[S-].[K+]
InChIInChI=1S/C5H6N2S.K/c6-5-4(8)2-1-3-7-5;/h1-3,8H,(H2,6,7);/q;+1/p-1
InChIKeyLGHKCPOMMQVONO-UHFFFAOYSA-M
MW164.27 g/mol
LogP-2.43
Rot. Bonds

About potassium 2-aminopyridine-3-thiolate

potassium 2-aminopyridine-3-thiolate (PubChem CID 142119104) has the molecular formula C5H5KN2S and a molecular weight of 164.27 g/mol. Its IUPAC name is potassium 2-aminopyridine-3-thiolate.

Molecular Properties

Compound Namepotassium 2-aminopyridine-3-thiolate
PubChem CID142119104
Molecular FormulaC5H5KN2S
Molecular Weight164.27 g/mol
Exact Mass163.98
IUPAC Namepotassium 2-aminopyridine-3-thiolate
SMILESNc1ncccc1[S-].[K+]
InChIInChI=1S/C5H6N2S.K/c6-5-4(8)2-1-3-7-5;/h1-3,8H,(H2,6,7);/q;+1/p-1
InChIKeyLGHKCPOMMQVONO-UHFFFAOYSA-M
XLogP-2.43
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 5-2.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-3-pyridinyl)pyridin-2-amine
CID 1236677
3-phosphanylpyridin-2-amine
CID 68771774
2-aminopyridin-3-ol;methane
CID 175038477
methoxymethane;3-methylpyridin-2-amine
CID 142348172
(2-amino-3-pyridinyl) thiohypofluorite
CID 143924195
3-(2-aminophenyl)pyridin-2-amine
CID 130114605
gallium tris(quinoline-8-thiolate)
CID 22102089
1,7-naphthyridin-8-amine
CID 2737037
2-aminopyridin-3-ol;sulfuric acid
CID 67131253
ethane;3-methylsulfanylpyridin-2-amine
CID 142810881
benzene-1,2-dithiolate;bis(1,10-phenanthroline);ruthenium(2+)
CID 140589187
3-hydrazinylpyridin-2-amine;molecular hydrogen
CID 143942730

Frequently Asked Questions

What is the IUPAC name of potassium 2-aminopyridine-3-thiolate?
The IUPAC name of potassium 2-aminopyridine-3-thiolate (CID 142119104) is potassium 2-aminopyridine-3-thiolate.
What is the SMILES notation for potassium 2-aminopyridine-3-thiolate?
The canonical SMILES for potassium 2-aminopyridine-3-thiolate is Nc1ncccc1[S-].[K+].
What is the InChIKey of potassium 2-aminopyridine-3-thiolate?
The InChIKey is LGHKCPOMMQVONO-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H6N2S.K/c6-5-4(8)2-1-3-7-5;/h1-3,8H,(H2,6,7);/q;+1/p-1.
What are the key properties of potassium 2-aminopyridine-3-thiolate?
potassium 2-aminopyridine-3-thiolate has a molecular weight of 164.27 g/mol, XLogP of -2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-aminopyridine-3-thiolate is sourced from PubChem (CID 142119104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).