3-(2,4-dichlorophenyl)-1,4-dihydropyrazole-5-thione

C9H6Cl2N2S — CID 144921488

IUPAC3-(2,4-dichlorophenyl)-1,4-dihydropyrazole-5-thione
SMILESS=C1CC(c2ccc(Cl)cc2Cl)=NN1
InChIInChI=1S/C9H6Cl2N2S/c10-5-1-2-6(7(11)3-5)8-4-9(14)13-12-8/h1-3H,4H2,(H,13,14)
InChIKeyZVNSKIURKCJPGS-UHFFFAOYSA-N
MW245.13 g/mol
LogP3.02
Rot. Bonds1

About 3-(2,4-dichlorophenyl)-1,4-dihydropyrazole-5-thione

3-(2,4-dichlorophenyl)-1,4-dihydropyrazole-5-thione (PubChem CID 144921488) has the molecular formula C9H6Cl2N2S and a molecular weight of 245.13 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1,4-dihydropyrazole-5-thione.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1,4-dihydropyrazole-5-thione
PubChem CID144921488
Molecular FormulaC9H6Cl2N2S
Molecular Weight245.13 g/mol
Exact Mass243.96
IUPAC Name3-(2,4-dichlorophenyl)-1,4-dihydropyrazole-5-thione
SMILESS=C1CC(c2ccc(Cl)cc2Cl)=NN1
InChIInChI=1S/C9H6Cl2N2S/c10-5-1-2-6(7(11)3-5)8-4-9(14)13-12-8/h1-3H,4H2,(H,13,14)
InChIKeyZVNSKIURKCJPGS-UHFFFAOYSA-N
XLogP3.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.13
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2,4-dichlorophenyl)-N-ethyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135800629
5-(2,4-dichlorophenyl)-N-ethyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrochloride
CID 135800628
4-(2,4-dichlorophenyl)-1H-pyridazine-6-thione
CID 106517997
3-(2,4-dichlorophenyl)-4H-pyrazole
CID 97049956
4-(2,4-dichlorophenyl)-6-(trifluoromethyl)-1H-pyrimidine-2-thione
CID 91926908
6-(2,4-dichlorophenyl)-1H-pyrimidine-2-thione
CID 4773626
2,4,6-tris(2,4-dichlorophenyl)pyridine
CID 86059634
6-[3-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoxaline
CID 176900311
5-chloro-2-(2,4-dichlorophenyl)phenol
CID 174783468
2,4-dichloro-1-phenylbenzene;methane;dihydrochloride
CID 175257985
methane;1,2,4-trichlorobenzene
CID 157397102
2,6-dichloro-3-(2,4-dichlorophenyl)pyridine
CID 133088201

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1,4-dihydropyrazole-5-thione?
The IUPAC name of 3-(2,4-dichlorophenyl)-1,4-dihydropyrazole-5-thione (CID 144921488) is 3-(2,4-dichlorophenyl)-1,4-dihydropyrazole-5-thione.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1,4-dihydropyrazole-5-thione?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1,4-dihydropyrazole-5-thione is S=C1CC(c2ccc(Cl)cc2Cl)=NN1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1,4-dihydropyrazole-5-thione?
The InChIKey is ZVNSKIURKCJPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2S/c10-5-1-2-6(7(11)3-5)8-4-9(14)13-12-8/h1-3H,4H2,(H,13,14).
What are the key properties of 3-(2,4-dichlorophenyl)-1,4-dihydropyrazole-5-thione?
3-(2,4-dichlorophenyl)-1,4-dihydropyrazole-5-thione has a molecular weight of 245.13 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-1,4-dihydropyrazole-5-thione is sourced from PubChem (CID 144921488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).