3-phenyl-4,5-dihydro-1H-pyridazine-6-thione

C10H10N2S — CID 11528493

IUPAC3-phenyl-4,5-dihydro-1H-pyridazine-6-thione
SMILESS=C1CCC(c2ccccc2)=NN1
InChIInChI=1S/C10H10N2S/c13-10-7-6-9(11-12-10)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)
InChIKeyIKJXCMQSYYZDIQ-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.10
Rot. Bonds1

About 3-phenyl-4,5-dihydro-1H-pyridazine-6-thione

3-phenyl-4,5-dihydro-1H-pyridazine-6-thione (PubChem CID 11528493) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 3-phenyl-4,5-dihydro-1H-pyridazine-6-thione.

Molecular Properties

Compound Name3-phenyl-4,5-dihydro-1H-pyridazine-6-thione
PubChem CID11528493
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name3-phenyl-4,5-dihydro-1H-pyridazine-6-thione
SMILESS=C1CCC(c2ccccc2)=NN1
InChIInChI=1S/C10H10N2S/c13-10-7-6-9(11-12-10)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)
InChIKeyIKJXCMQSYYZDIQ-UHFFFAOYSA-N
XLogP2.10
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.10
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-phenyl-4,5-dihydro-1H-pyridazine-6-thione?
The IUPAC name of 3-phenyl-4,5-dihydro-1H-pyridazine-6-thione (CID 11528493) is 3-phenyl-4,5-dihydro-1H-pyridazine-6-thione.
What is the SMILES notation for 3-phenyl-4,5-dihydro-1H-pyridazine-6-thione?
The canonical SMILES for 3-phenyl-4,5-dihydro-1H-pyridazine-6-thione is S=C1CCC(c2ccccc2)=NN1.
What is the InChIKey of 3-phenyl-4,5-dihydro-1H-pyridazine-6-thione?
The InChIKey is IKJXCMQSYYZDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c13-10-7-6-9(11-12-10)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13).
What are the key properties of 3-phenyl-4,5-dihydro-1H-pyridazine-6-thione?
3-phenyl-4,5-dihydro-1H-pyridazine-6-thione has a molecular weight of 190.27 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4,5-dihydro-1H-pyridazine-6-thione is sourced from PubChem (CID 11528493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).