silver 2-sulfanylidene-1H-pyridine-3-carboxylate

C6H4AgNO2S — CID 3006066

IUPACsilver 2-sulfanylidene-1H-pyridine-3-carboxylate
SMILESO=C([O-])c1ccc[nH]c1=S.[Ag+]
InChIInChI=1S/C6H5NO2S.Ag/c8-6(9)4-2-1-3-7-5(4)10;/h1-3H,(H,7,10)(H,8,9);/q;+1/p-1
InChIKeyQOZAGPCHKPZOBD-UHFFFAOYSA-M
MW262.04 g/mol
LogP0.11
Rot. Bonds1

About silver 2-sulfanylidene-1H-pyridine-3-carboxylate

silver 2-sulfanylidene-1H-pyridine-3-carboxylate (PubChem CID 3006066) has the molecular formula C6H4AgNO2S and a molecular weight of 262.04 g/mol. Its IUPAC name is silver 2-sulfanylidene-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namesilver 2-sulfanylidene-1H-pyridine-3-carboxylate
PubChem CID3006066
Molecular FormulaC6H4AgNO2S
Molecular Weight262.04 g/mol
Exact Mass260.90
IUPAC Namesilver 2-sulfanylidene-1H-pyridine-3-carboxylate
SMILESO=C([O-])c1ccc[nH]c1=S.[Ag+]
InChIInChI=1S/C6H5NO2S.Ag/c8-6(9)4-2-1-3-7-5(4)10;/h1-3H,(H,7,10)(H,8,9);/q;+1/p-1
InChIKeyQOZAGPCHKPZOBD-UHFFFAOYSA-M
XLogP0.11
TPSA55.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.04
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-sulfanylidene-1H-pyridine-3-carbonyl iodide
CID 129273126
ethane;2-sulfanylidene-1H-pyridine-3-carboxylic acid
CID 91103055
1-(2-sulfanylidene-1H-pyridin-3-yl)propan-1-one
CID 77228632
disilver;phthalate
CID 21449237
2-[(2-sulfanylidene-1H-pyridine-3-carbonyl)amino]ethyl nitrate
CID 18717838
N-(2-aminoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 130634637
N-(3-hydroxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 78855806
gold(1+);1H-pyrrole-2-carboxylate
CID 175933038
chromium(3+);tris(1H-pyrrole-2-carboxylate)
CID 161170868
sodium 1H-pyrrole-2-carboxylate
CID 23665788
N-[2-(dimethylamino)ethyl]-N-ethyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 88537773
N'-(4-bromobenzoyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide
CID 43046479

Frequently Asked Questions

What is the IUPAC name of silver 2-sulfanylidene-1H-pyridine-3-carboxylate?
The IUPAC name of silver 2-sulfanylidene-1H-pyridine-3-carboxylate (CID 3006066) is silver 2-sulfanylidene-1H-pyridine-3-carboxylate.
What is the SMILES notation for silver 2-sulfanylidene-1H-pyridine-3-carboxylate?
The canonical SMILES for silver 2-sulfanylidene-1H-pyridine-3-carboxylate is O=C([O-])c1ccc[nH]c1=S.[Ag+].
What is the InChIKey of silver 2-sulfanylidene-1H-pyridine-3-carboxylate?
The InChIKey is QOZAGPCHKPZOBD-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5NO2S.Ag/c8-6(9)4-2-1-3-7-5(4)10;/h1-3H,(H,7,10)(H,8,9);/q;+1/p-1.
What are the key properties of silver 2-sulfanylidene-1H-pyridine-3-carboxylate?
silver 2-sulfanylidene-1H-pyridine-3-carboxylate has a molecular weight of 262.04 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for silver 2-sulfanylidene-1H-pyridine-3-carboxylate is sourced from PubChem (CID 3006066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).