3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine

C20H18ClFN2S — CID 43937068

IUPAC3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine
SMILESCc1cc(C)c(-c2ccc(SCc3c(F)cccc3Cl)nn2)cc1C
InChIInChI=1S/C20H18ClFN2S/c1-12-9-14(3)15(10-13(12)2)19-7-8-20(24-23-19)25-11-16-17(21)5-4-6-18(16)22/h4-10H,11H2,1-3H3
InChIKeyMXRFZLKNPOIKAO-UHFFFAOYSA-N
MW372.90 g/mol
LogP6.15
Rot. Bonds4

About 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine

3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine (PubChem CID 43937068) has the molecular formula C20H18ClFN2S and a molecular weight of 372.90 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine
PubChem CID43937068
Molecular FormulaC20H18ClFN2S
Molecular Weight372.90 g/mol
Exact Mass372.09
IUPAC Name3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine
SMILESCc1cc(C)c(-c2ccc(SCc3c(F)cccc3Cl)nn2)cc1C
InChIInChI=1S/C20H18ClFN2S/c1-12-9-14(3)15(10-13(12)2)19-7-8-20(24-23-19)25-11-16-17(21)5-4-6-18(16)22/h4-10H,11H2,1-3H3
InChIKeyMXRFZLKNPOIKAO-UHFFFAOYSA-N
XLogP6.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.90
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,5-dimethylphenyl)pyridazine
CID 43937055
3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine
CID 43937004
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine
CID 7207491
3-methylsulfanyl-6-(2,4,5-trimethylphenyl)pyridazine
CID 7673097
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(4-imidazol-1-ylphenyl)pyridazine
CID 41005997
3-[(2,6-difluorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
CID 56661662
6-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridin-3-amine
CID 43301399
1,2-dichloro-4-[(2-chloro-6-fluorophenyl)methylsulfanyl]benzene
CID 2804332
methyl 5-[[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxylate
CID 8699335
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]aniline
CID 2780046
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-methyl-5-(4-methylphenyl)-1,2,4-triazole
CID 17384024
3-[(2,6-difluoro-4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
CID 122542944

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine (CID 43937068) is 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine is Cc1cc(C)c(-c2ccc(SCc3c(F)cccc3Cl)nn2)cc1C.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine?
The InChIKey is MXRFZLKNPOIKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2S/c1-12-9-14(3)15(10-13(12)2)19-7-8-20(24-23-19)25-11-16-17(21)5-4-6-18(16)22/h4-10H,11H2,1-3H3.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine?
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine has a molecular weight of 372.90 g/mol, XLogP of 6.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine is sourced from PubChem (CID 43937068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).