(3,4-dichlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanethione

C17H14Cl2N2S — CID 10360420

IUPAC(3,4-dichlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanethione
SMILESS=C(c1ccc(Cl)c(Cl)c1)N1CCCC(c2ccccc2)=N1
InChIInChI=1S/C17H14Cl2N2S/c18-14-9-8-13(11-15(14)19)17(22)21-10-4-7-16(20-21)12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2
InChIKeyRFLBIXTXWXYDTK-UHFFFAOYSA-N
MW349.29 g/mol
LogP5.17
Rot. Bonds2

About (3,4-dichlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanethione

(3,4-dichlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanethione (PubChem CID 10360420) has the molecular formula C17H14Cl2N2S and a molecular weight of 349.29 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanethione.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanethione
PubChem CID10360420
Molecular FormulaC17H14Cl2N2S
Molecular Weight349.29 g/mol
Exact Mass348.03
IUPAC Name(3,4-dichlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanethione
SMILESS=C(c1ccc(Cl)c(Cl)c1)N1CCCC(c2ccccc2)=N1
InChIInChI=1S/C17H14Cl2N2S/c18-14-9-8-13(11-15(14)19)17(22)21-10-4-7-16(20-21)12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2
InChIKeyRFLBIXTXWXYDTK-UHFFFAOYSA-N
XLogP5.17
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.29
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3,4-dichlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanethione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanethione?
The IUPAC name of (3,4-dichlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanethione (CID 10360420) is (3,4-dichlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanethione.
What is the SMILES notation for (3,4-dichlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanethione?
The canonical SMILES for (3,4-dichlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanethione is S=C(c1ccc(Cl)c(Cl)c1)N1CCCC(c2ccccc2)=N1.
What is the InChIKey of (3,4-dichlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanethione?
The InChIKey is RFLBIXTXWXYDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2S/c18-14-9-8-13(11-15(14)19)17(22)21-10-4-7-16(20-21)12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2.
What are the key properties of (3,4-dichlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanethione?
(3,4-dichlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanethione has a molecular weight of 349.29 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanethione is sourced from PubChem (CID 10360420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).