tris(1-hydroxypyridine-2-thione);zinc

C15H15N3O3S3Zn2 — CID 173015656

IUPACtris(1-hydroxypyridine-2-thione);zinc
SMILESOn1ccccc1=S.On1ccccc1=S.On1ccccc1=S.[Zn].[Zn]
InChIInChI=1S/3C5H5NOS.2Zn/c3*7-6-4-2-1-3-5(6)8;;/h3*1-4,7H;;
InChIKeyAXZFXQCMHXHWMK-UHFFFAOYSA-N
MW512.28 g/mol
LogP4.36
Rot. Bonds

About tris(1-hydroxypyridine-2-thione);zinc

tris(1-hydroxypyridine-2-thione);zinc (PubChem CID 173015656) has the molecular formula C15H15N3O3S3Zn2 and a molecular weight of 512.28 g/mol. Its IUPAC name is tris(1-hydroxypyridine-2-thione);zinc.

Molecular Properties

Compound Nametris(1-hydroxypyridine-2-thione);zinc
PubChem CID173015656
Molecular FormulaC15H15N3O3S3Zn2
Molecular Weight512.28 g/mol
Exact Mass508.89
IUPAC Nametris(1-hydroxypyridine-2-thione);zinc
SMILESOn1ccccc1=S.On1ccccc1=S.On1ccccc1=S.[Zn].[Zn]
InChIInChI=1S/3C5H5NOS.2Zn/c3*7-6-4-2-1-3-5(6)8;;/h3*1-4,7H;;
InChIKeyAXZFXQCMHXHWMK-UHFFFAOYSA-N
XLogP4.36
TPSA75.48 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.28
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

Bis(1-hydroxy-1H-pyridine-2-thionato-O,S)copper
CID 84692
2-Pyridinethiol 1-Oxide Zinc Salt
CID 3005837
1-Hydroxy-2(1h)-pyridinethione, copper salt
CID 517214
CopperPyrithione
CID 56845428
Pyrithione cadmium
CID 205866
bis(1-hydroxy-2(1h)-pyridinethionato-O,s) zinc
CID 500025
Bis((1-hydroxy-2(1H)-pyridinylidene)-lambda~4~-sulfanyl)manganese
CID 499400
Aluminum tris(1-oxidopyridine-2-thione)
CID 20332885
Pyrithione lead
CID 118796495
Barium pyrithione
CID 122173889
Tris(1-hydroxy-1H-pyridine-2-thionato-O,S)aluminium
CID 75124228
Omadine MDS
CID 75124232

Frequently Asked Questions

What is the IUPAC name of tris(1-hydroxypyridine-2-thione);zinc?
The IUPAC name of tris(1-hydroxypyridine-2-thione);zinc (CID 173015656) is tris(1-hydroxypyridine-2-thione);zinc.
What is the SMILES notation for tris(1-hydroxypyridine-2-thione);zinc?
The canonical SMILES for tris(1-hydroxypyridine-2-thione);zinc is On1ccccc1=S.On1ccccc1=S.On1ccccc1=S.[Zn].[Zn].
What is the InChIKey of tris(1-hydroxypyridine-2-thione);zinc?
The InChIKey is AXZFXQCMHXHWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H5NOS.2Zn/c3*7-6-4-2-1-3-5(6)8;;/h3*1-4,7H;;.
What are the key properties of tris(1-hydroxypyridine-2-thione);zinc?
tris(1-hydroxypyridine-2-thione);zinc has a molecular weight of 512.28 g/mol, XLogP of 4.36, 0 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-hydroxypyridine-2-thione);zinc is sourced from PubChem (CID 173015656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).