1-[bis[(2-sulfanylidene-1-pyridinyl)oxy]alumanyloxy]pyridine-2-thione

C15H12AlN3O3S3 — CID 75124228

IUPAC1-[bis[(2-sulfanylidene-1-pyridinyl)oxy]alumanyloxy]pyridine-2-thione
SMILESS=c1ccccn1O[Al](On1ccccc1=S)On1ccccc1=S
InChIInChI=1S/3C5H4NOS.Al/c3*7-6-4-2-1-3-5(6)8;/h3*1-4H;/q3*-1;+3
InChIKeyTVOHFLHWXJEMMD-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.95
Rot. Bonds6

About 1-[bis[(2-sulfanylidene-1-pyridinyl)oxy]alumanyloxy]pyridine-2-thione

1-[bis[(2-sulfanylidene-1-pyridinyl)oxy]alumanyloxy]pyridine-2-thione (PubChem CID 75124228) has the molecular formula C15H12AlN3O3S3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 1-[bis[(2-sulfanylidene-1-pyridinyl)oxy]alumanyloxy]pyridine-2-thione.

Molecular Properties

Compound Name1-[bis[(2-sulfanylidene-1-pyridinyl)oxy]alumanyloxy]pyridine-2-thione
PubChem CID75124228
Molecular FormulaC15H12AlN3O3S3
Molecular Weight405.46 g/mol
Exact Mass404.99
IUPAC Name1-[bis[(2-sulfanylidene-1-pyridinyl)oxy]alumanyloxy]pyridine-2-thione
SMILESS=c1ccccn1O[Al](On1ccccc1=S)On1ccccc1=S
InChIInChI=1S/3C5H4NOS.Al/c3*7-6-4-2-1-3-5(6)8;/h3*1-4H;/q3*-1;+3
InChIKeyTVOHFLHWXJEMMD-UHFFFAOYSA-N
XLogP2.95
TPSA42.48 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[bis[(2-sulfanylidene-1-pyridinyl)oxy]alumanyloxy]pyridine-2-thione?
The IUPAC name of 1-[bis[(2-sulfanylidene-1-pyridinyl)oxy]alumanyloxy]pyridine-2-thione (CID 75124228) is 1-[bis[(2-sulfanylidene-1-pyridinyl)oxy]alumanyloxy]pyridine-2-thione.
What is the SMILES notation for 1-[bis[(2-sulfanylidene-1-pyridinyl)oxy]alumanyloxy]pyridine-2-thione?
The canonical SMILES for 1-[bis[(2-sulfanylidene-1-pyridinyl)oxy]alumanyloxy]pyridine-2-thione is S=c1ccccn1O[Al](On1ccccc1=S)On1ccccc1=S.
What is the InChIKey of 1-[bis[(2-sulfanylidene-1-pyridinyl)oxy]alumanyloxy]pyridine-2-thione?
The InChIKey is TVOHFLHWXJEMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H4NOS.Al/c3*7-6-4-2-1-3-5(6)8;/h3*1-4H;/q3*-1;+3.
What are the key properties of 1-[bis[(2-sulfanylidene-1-pyridinyl)oxy]alumanyloxy]pyridine-2-thione?
1-[bis[(2-sulfanylidene-1-pyridinyl)oxy]alumanyloxy]pyridine-2-thione has a molecular weight of 405.46 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis[(2-sulfanylidene-1-pyridinyl)oxy]alumanyloxy]pyridine-2-thione is sourced from PubChem (CID 75124228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).