3-(cyclohexen-1-yl)-1H-pyridazine-6-thione

C10H12N2S — CID 130804710

IUPAC3-(cyclohexen-1-yl)-1H-pyridazine-6-thione
SMILESS=c1ccc(C2=CCCCC2)n[nH]1
InChIInChI=1S/C10H12N2S/c13-10-7-6-9(11-12-10)8-4-2-1-3-5-8/h4,6-7H,1-3,5H2,(H,12,13)
InChIKeyYFXOPPHNAHNSKH-UHFFFAOYSA-N
MW192.29 g/mol
LogP3.10
Rot. Bonds1

About 3-(cyclohexen-1-yl)-1H-pyridazine-6-thione

3-(cyclohexen-1-yl)-1H-pyridazine-6-thione (PubChem CID 130804710) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-1H-pyridazine-6-thione.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-1H-pyridazine-6-thione
PubChem CID130804710
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name3-(cyclohexen-1-yl)-1H-pyridazine-6-thione
SMILESS=c1ccc(C2=CCCCC2)n[nH]1
InChIInChI=1S/C10H12N2S/c13-10-7-6-9(11-12-10)8-4-2-1-3-5-8/h4,6-7H,1-3,5H2,(H,12,13)
InChIKeyYFXOPPHNAHNSKH-UHFFFAOYSA-N
XLogP3.10
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-(cyclohexen-1-yl)-1H-pyridazine-6-thione?
The IUPAC name of 3-(cyclohexen-1-yl)-1H-pyridazine-6-thione (CID 130804710) is 3-(cyclohexen-1-yl)-1H-pyridazine-6-thione.
What is the SMILES notation for 3-(cyclohexen-1-yl)-1H-pyridazine-6-thione?
The canonical SMILES for 3-(cyclohexen-1-yl)-1H-pyridazine-6-thione is S=c1ccc(C2=CCCCC2)n[nH]1.
What is the InChIKey of 3-(cyclohexen-1-yl)-1H-pyridazine-6-thione?
The InChIKey is YFXOPPHNAHNSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c13-10-7-6-9(11-12-10)8-4-2-1-3-5-8/h4,6-7H,1-3,5H2,(H,12,13).
What are the key properties of 3-(cyclohexen-1-yl)-1H-pyridazine-6-thione?
3-(cyclohexen-1-yl)-1H-pyridazine-6-thione has a molecular weight of 192.29 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-1H-pyridazine-6-thione is sourced from PubChem (CID 130804710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).