4-(2,4-dichlorophenyl)-1H-pyridazine-6-thione

C10H6Cl2N2S — CID 106517997

IUPAC4-(2,4-dichlorophenyl)-1H-pyridazine-6-thione
SMILESS=c1cc(-c2ccc(Cl)cc2Cl)cn[nH]1
InChIInChI=1S/C10H6Cl2N2S/c11-7-1-2-8(9(12)4-7)6-3-10(15)14-13-5-6/h1-5H,(H,14,15)
InChIKeyOIRCJHXNSGYJHX-UHFFFAOYSA-N
MW257.15 g/mol
LogP4.11
Rot. Bonds1

About 4-(2,4-dichlorophenyl)-1H-pyridazine-6-thione

4-(2,4-dichlorophenyl)-1H-pyridazine-6-thione (PubChem CID 106517997) has the molecular formula C10H6Cl2N2S and a molecular weight of 257.15 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-1H-pyridazine-6-thione.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-1H-pyridazine-6-thione
PubChem CID106517997
Molecular FormulaC10H6Cl2N2S
Molecular Weight257.15 g/mol
Exact Mass255.96
IUPAC Name4-(2,4-dichlorophenyl)-1H-pyridazine-6-thione
SMILESS=c1cc(-c2ccc(Cl)cc2Cl)cn[nH]1
InChIInChI=1S/C10H6Cl2N2S/c11-7-1-2-8(9(12)4-7)6-3-10(15)14-13-5-6/h1-5H,(H,14,15)
InChIKeyOIRCJHXNSGYJHX-UHFFFAOYSA-N
XLogP4.11
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.15
LogP ≤ 54.11
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

4-(2,3,4-trifluorophenyl)-1H-pyridazine-6-thione
CID 106517699
4-(3-chloro-4-fluorophenyl)-1H-pyridazine-6-thione
CID 106521078
4-(2,4,5-trifluorophenyl)-1H-pyridazine-6-thione
CID 106520230
[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methanamine
CID 79487686
5-(2,4-dichlorophenyl)-1H-pyrazole-4-sulfonamide
CID 61395320
5-(2,4-dichlorophenyl)-3-methylpyridazine
CID 11958263
2,4,6-tris(2,4-dichlorophenyl)pyridine
CID 86059634
3-(2,4-dichlorophenyl)-1,4-dihydropyrazole-5-thione
CID 144921488
N-[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]formamide
CID 123784450
4-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyridazine-6-thione
CID 106522555
5-(2,4-dichlorophenyl)-2-methylpyridine
CID 57069565
4-(2,3,4-trichlorophenyl)-1H-pyridazin-6-one
CID 174358567

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-1H-pyridazine-6-thione?
The IUPAC name of 4-(2,4-dichlorophenyl)-1H-pyridazine-6-thione (CID 106517997) is 4-(2,4-dichlorophenyl)-1H-pyridazine-6-thione.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-1H-pyridazine-6-thione?
The canonical SMILES for 4-(2,4-dichlorophenyl)-1H-pyridazine-6-thione is S=c1cc(-c2ccc(Cl)cc2Cl)cn[nH]1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-1H-pyridazine-6-thione?
The InChIKey is OIRCJHXNSGYJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2S/c11-7-1-2-8(9(12)4-7)6-3-10(15)14-13-5-6/h1-5H,(H,14,15).
What are the key properties of 4-(2,4-dichlorophenyl)-1H-pyridazine-6-thione?
4-(2,4-dichlorophenyl)-1H-pyridazine-6-thione has a molecular weight of 257.15 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-1H-pyridazine-6-thione is sourced from PubChem (CID 106517997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).