6-(4-chlorophenyl)-2-phenyl-4,5-dihydropyridazine-3-thione

C16H13ClN2S — CID 3732217

IUPAC6-(4-chlorophenyl)-2-phenyl-4,5-dihydropyridazine-3-thione
SMILESS=C1CCC(c2ccc(Cl)cc2)=NN1c1ccccc1
InChIInChI=1S/C16H13ClN2S/c17-13-8-6-12(7-9-13)15-10-11-16(20)19(18-15)14-4-2-1-3-5-14/h1-9H,10-11H2
InChIKeyPGVBBRMYFDZPQF-UHFFFAOYSA-N
MW300.81 g/mol
LogP4.67
Rot. Bonds2

About 6-(4-chlorophenyl)-2-phenyl-4,5-dihydropyridazine-3-thione

6-(4-chlorophenyl)-2-phenyl-4,5-dihydropyridazine-3-thione (PubChem CID 3732217) has the molecular formula C16H13ClN2S and a molecular weight of 300.81 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-phenyl-4,5-dihydropyridazine-3-thione.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-phenyl-4,5-dihydropyridazine-3-thione
PubChem CID3732217
Molecular FormulaC16H13ClN2S
Molecular Weight300.81 g/mol
Exact Mass300.05
IUPAC Name6-(4-chlorophenyl)-2-phenyl-4,5-dihydropyridazine-3-thione
SMILESS=C1CCC(c2ccc(Cl)cc2)=NN1c1ccccc1
InChIInChI=1S/C16H13ClN2S/c17-13-8-6-12(7-9-13)15-10-11-16(20)19(18-15)14-4-2-1-3-5-14/h1-9H,10-11H2
InChIKeyPGVBBRMYFDZPQF-UHFFFAOYSA-N
XLogP4.67
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 54.67
H-Bond Donors ≤ 50
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 6-(4-chlorophenyl)-2-phenyl-4,5-dihydropyridazine-3-thione?
The IUPAC name of 6-(4-chlorophenyl)-2-phenyl-4,5-dihydropyridazine-3-thione (CID 3732217) is 6-(4-chlorophenyl)-2-phenyl-4,5-dihydropyridazine-3-thione.
What is the SMILES notation for 6-(4-chlorophenyl)-2-phenyl-4,5-dihydropyridazine-3-thione?
The canonical SMILES for 6-(4-chlorophenyl)-2-phenyl-4,5-dihydropyridazine-3-thione is S=C1CCC(c2ccc(Cl)cc2)=NN1c1ccccc1.
What is the InChIKey of 6-(4-chlorophenyl)-2-phenyl-4,5-dihydropyridazine-3-thione?
The InChIKey is PGVBBRMYFDZPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2S/c17-13-8-6-12(7-9-13)15-10-11-16(20)19(18-15)14-4-2-1-3-5-14/h1-9H,10-11H2.
What are the key properties of 6-(4-chlorophenyl)-2-phenyl-4,5-dihydropyridazine-3-thione?
6-(4-chlorophenyl)-2-phenyl-4,5-dihydropyridazine-3-thione has a molecular weight of 300.81 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-phenyl-4,5-dihydropyridazine-3-thione is sourced from PubChem (CID 3732217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).