4-pyridazin-3-yl-1H-pyridazine-6-thione

C8H6N4S — CID 156807954

IUPAC4-pyridazin-3-yl-1H-pyridazine-6-thione
SMILESS=c1cc(-c2cccnn2)cn[nH]1
InChIInChI=1S/C8H6N4S/c13-8-4-6(5-10-12-8)7-2-1-3-9-11-7/h1-5H,(H,12,13)
InChIKeyQNMVGKDPXDCXFC-UHFFFAOYSA-N
MW190.23 g/mol
LogP1.60
Rot. Bonds1

About 4-pyridazin-3-yl-1H-pyridazine-6-thione

4-pyridazin-3-yl-1H-pyridazine-6-thione (PubChem CID 156807954) has the molecular formula C8H6N4S and a molecular weight of 190.23 g/mol. Its IUPAC name is 4-pyridazin-3-yl-1H-pyridazine-6-thione.

Molecular Properties

Compound Name4-pyridazin-3-yl-1H-pyridazine-6-thione
PubChem CID156807954
Molecular FormulaC8H6N4S
Molecular Weight190.23 g/mol
Exact Mass190.03
IUPAC Name4-pyridazin-3-yl-1H-pyridazine-6-thione
SMILESS=c1cc(-c2cccnn2)cn[nH]1
InChIInChI=1S/C8H6N4S/c13-8-4-6(5-10-12-8)7-2-1-3-9-11-7/h1-5H,(H,12,13)
InChIKeyQNMVGKDPXDCXFC-UHFFFAOYSA-N
XLogP1.60
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-pyridazin-3-yl-1H-pyridazine-6-thione?
The IUPAC name of 4-pyridazin-3-yl-1H-pyridazine-6-thione (CID 156807954) is 4-pyridazin-3-yl-1H-pyridazine-6-thione.
What is the SMILES notation for 4-pyridazin-3-yl-1H-pyridazine-6-thione?
The canonical SMILES for 4-pyridazin-3-yl-1H-pyridazine-6-thione is S=c1cc(-c2cccnn2)cn[nH]1.
What is the InChIKey of 4-pyridazin-3-yl-1H-pyridazine-6-thione?
The InChIKey is QNMVGKDPXDCXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4S/c13-8-4-6(5-10-12-8)7-2-1-3-9-11-7/h1-5H,(H,12,13).
What are the key properties of 4-pyridazin-3-yl-1H-pyridazine-6-thione?
4-pyridazin-3-yl-1H-pyridazine-6-thione has a molecular weight of 190.23 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridazin-3-yl-1H-pyridazine-6-thione is sourced from PubChem (CID 156807954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).