4-(2-fluoro-4-methoxyphenyl)-1H-pyridazine-6-thione

C11H9FN2OS — CID 106520950

IUPAC4-(2-fluoro-4-methoxyphenyl)-1H-pyridazine-6-thione
SMILESCOc1ccc(-c2cn[nH]c(=S)c2)c(F)c1
InChIInChI=1S/C11H9FN2OS/c1-15-8-2-3-9(10(12)5-8)7-4-11(16)14-13-6-7/h2-6H,1H3,(H,14,16)
InChIKeyLAODSIRCKQTBNN-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.95
Rot. Bonds2

About 4-(2-fluoro-4-methoxyphenyl)-1H-pyridazine-6-thione

4-(2-fluoro-4-methoxyphenyl)-1H-pyridazine-6-thione (PubChem CID 106520950) has the molecular formula C11H9FN2OS and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-(2-fluoro-4-methoxyphenyl)-1H-pyridazine-6-thione.

Molecular Properties

Compound Name4-(2-fluoro-4-methoxyphenyl)-1H-pyridazine-6-thione
PubChem CID106520950
Molecular FormulaC11H9FN2OS
Molecular Weight236.27 g/mol
Exact Mass236.04
IUPAC Name4-(2-fluoro-4-methoxyphenyl)-1H-pyridazine-6-thione
SMILESCOc1ccc(-c2cn[nH]c(=S)c2)c(F)c1
InChIInChI=1S/C11H9FN2OS/c1-15-8-2-3-9(10(12)5-8)7-4-11(16)14-13-6-7/h2-6H,1H3,(H,14,16)
InChIKeyLAODSIRCKQTBNN-UHFFFAOYSA-N
XLogP2.95
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-1-(4-fluorophenyl)-4-methoxybenzene
CID 46312221
2-(2-fluoro-4-methoxyphenyl)-1H-pyridine-4-thione
CID 106520915
4-amino-3-(2-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 102883560
6-(2-fluoro-4-methoxyphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106520913
6-(2-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione
CID 106520926
[4-(2-fluoro-4-methoxyphenyl)phenyl]methanamine
CID 61034326
5-fluoro-2-(2-fluoro-4-methoxyphenyl)pyridine
CID 70819002
4-(3-chloro-4-fluorophenyl)-1H-pyridazine-6-thione
CID 106521078
5-(2-fluoro-4-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one
CID 102885450
5-(2-fluoro-4-methoxyphenyl)-2-methoxyphenol
CID 53220882
5-ethynyl-2-(2-fluoro-4-methoxyphenyl)pyridine
CID 175646954
2-chloro-5-(2-fluoro-4-methoxyphenyl)phenol
CID 53221331

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-1H-pyridazine-6-thione?
The IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-1H-pyridazine-6-thione (CID 106520950) is 4-(2-fluoro-4-methoxyphenyl)-1H-pyridazine-6-thione.
What is the SMILES notation for 4-(2-fluoro-4-methoxyphenyl)-1H-pyridazine-6-thione?
The canonical SMILES for 4-(2-fluoro-4-methoxyphenyl)-1H-pyridazine-6-thione is COc1ccc(-c2cn[nH]c(=S)c2)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methoxyphenyl)-1H-pyridazine-6-thione?
The InChIKey is LAODSIRCKQTBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2OS/c1-15-8-2-3-9(10(12)5-8)7-4-11(16)14-13-6-7/h2-6H,1H3,(H,14,16).
What are the key properties of 4-(2-fluoro-4-methoxyphenyl)-1H-pyridazine-6-thione?
4-(2-fluoro-4-methoxyphenyl)-1H-pyridazine-6-thione has a molecular weight of 236.27 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methoxyphenyl)-1H-pyridazine-6-thione is sourced from PubChem (CID 106520950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).