4-(2,3,4-trifluorophenyl)-1H-pyridazine-6-thione

C10H5F3N2S — CID 106517699

IUPAC4-(2,3,4-trifluorophenyl)-1H-pyridazine-6-thione
SMILESFc1ccc(-c2cn[nH]c(=S)c2)c(F)c1F
InChIInChI=1S/C10H5F3N2S/c11-7-2-1-6(9(12)10(7)13)5-3-8(16)15-14-4-5/h1-4H,(H,15,16)
InChIKeyMIXGPOOCBCNYEU-UHFFFAOYSA-N
MW242.23 g/mol
LogP3.22
Rot. Bonds1

About 4-(2,3,4-trifluorophenyl)-1H-pyridazine-6-thione

4-(2,3,4-trifluorophenyl)-1H-pyridazine-6-thione (PubChem CID 106517699) has the molecular formula C10H5F3N2S and a molecular weight of 242.23 g/mol. Its IUPAC name is 4-(2,3,4-trifluorophenyl)-1H-pyridazine-6-thione.

Molecular Properties

Compound Name4-(2,3,4-trifluorophenyl)-1H-pyridazine-6-thione
PubChem CID106517699
Molecular FormulaC10H5F3N2S
Molecular Weight242.23 g/mol
Exact Mass242.01
IUPAC Name4-(2,3,4-trifluorophenyl)-1H-pyridazine-6-thione
SMILESFc1ccc(-c2cn[nH]c(=S)c2)c(F)c1F
InChIInChI=1S/C10H5F3N2S/c11-7-2-1-6(9(12)10(7)13)5-3-8(16)15-14-4-5/h1-4H,(H,15,16)
InChIKeyMIXGPOOCBCNYEU-UHFFFAOYSA-N
XLogP3.22
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-(2,4,5-trifluorophenyl)-1H-pyridazine-6-thione
CID 106520230
4-(2,4-dichlorophenyl)-1H-pyridazine-6-thione
CID 106517997
4-(2-fluoro-4-methoxyphenyl)-1H-pyridazine-6-thione
CID 106520950
4-(3-chloro-4-fluorophenyl)-1H-pyridazine-6-thione
CID 106521078
4-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyridazine-6-thione
CID 106522555
5-(2,3,4-trifluorophenyl)pyridin-3-ol
CID 79020426
5-(2,3,4-trifluorophenyl)-1H-pyrazole-4-carboxylic acid
CID 83810704
4-thiophen-3-yl-1H-pyridazine-6-thione
CID 106518491
4-(trifluoromethyl)-6-(2,3,4-trifluorophenyl)-1H-pyridine-2-thione
CID 106517660
4-pyridazin-3-yl-1H-pyridazine-6-thione
CID 156807954
4-(2,3,4-trifluorophenyl)pyridin-2-amine
CID 104877319
1,2,4,5-tetrafluoro-3-(2,3,4-trifluorophenyl)benzene
CID 164665926

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4-trifluorophenyl)-1H-pyridazine-6-thione?
The IUPAC name of 4-(2,3,4-trifluorophenyl)-1H-pyridazine-6-thione (CID 106517699) is 4-(2,3,4-trifluorophenyl)-1H-pyridazine-6-thione.
What is the SMILES notation for 4-(2,3,4-trifluorophenyl)-1H-pyridazine-6-thione?
The canonical SMILES for 4-(2,3,4-trifluorophenyl)-1H-pyridazine-6-thione is Fc1ccc(-c2cn[nH]c(=S)c2)c(F)c1F.
What is the InChIKey of 4-(2,3,4-trifluorophenyl)-1H-pyridazine-6-thione?
The InChIKey is MIXGPOOCBCNYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N2S/c11-7-2-1-6(9(12)10(7)13)5-3-8(16)15-14-4-5/h1-4H,(H,15,16).
What are the key properties of 4-(2,3,4-trifluorophenyl)-1H-pyridazine-6-thione?
4-(2,3,4-trifluorophenyl)-1H-pyridazine-6-thione has a molecular weight of 242.23 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4-trifluorophenyl)-1H-pyridazine-6-thione is sourced from PubChem (CID 106517699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).