3-[(4-chlorophenyl)methylsulfanyl]-6-(3,4-dimethylphenyl)pyridazine

C19H17ClN2S — CID 43937023

IUPAC3-[(4-chlorophenyl)methylsulfanyl]-6-(3,4-dimethylphenyl)pyridazine
SMILESCc1ccc(-c2ccc(SCc3ccc(Cl)cc3)nn2)cc1C
InChIInChI=1S/C19H17ClN2S/c1-13-3-6-16(11-14(13)2)18-9-10-19(22-21-18)23-12-15-4-7-17(20)8-5-15/h3-11H,12H2,1-2H3
InChIKeyGVQSZWADZHFYDB-UHFFFAOYSA-N
MW340.88 g/mol
LogP5.71
Rot. Bonds4

About 3-[(4-chlorophenyl)methylsulfanyl]-6-(3,4-dimethylphenyl)pyridazine

3-[(4-chlorophenyl)methylsulfanyl]-6-(3,4-dimethylphenyl)pyridazine (PubChem CID 43937023) has the molecular formula C19H17ClN2S and a molecular weight of 340.88 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylsulfanyl]-6-(3,4-dimethylphenyl)pyridazine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylsulfanyl]-6-(3,4-dimethylphenyl)pyridazine
PubChem CID43937023
Molecular FormulaC19H17ClN2S
Molecular Weight340.88 g/mol
Exact Mass340.08
IUPAC Name3-[(4-chlorophenyl)methylsulfanyl]-6-(3,4-dimethylphenyl)pyridazine
SMILESCc1ccc(-c2ccc(SCc3ccc(Cl)cc3)nn2)cc1C
InChIInChI=1S/C19H17ClN2S/c1-13-3-6-16(11-14(13)2)18-9-10-19(22-21-18)23-12-15-4-7-17(20)8-5-15/h3-11H,12H2,1-2H3
InChIKeyGVQSZWADZHFYDB-UHFFFAOYSA-N
XLogP5.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.88
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)-6-[(4-chlorophenyl)methylsulfanyl]pyridazine
CID 43936867
3-(3,4-dimethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine
CID 43937021
3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(3,4-dimethoxyphenyl)pyridazine
CID 43936895
3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine
CID 43937004
3-[(2,5-dimethylphenyl)methylsulfanyl]-6-(4-ethylphenyl)pyridazine
CID 43936932
3-chloro-6-[(4-chlorophenyl)methylsulfanyl]pyridazine
CID 45030918
5-[6-[(4-chlorophenyl)methylsulfanyl]pyridazin-3-yl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole
CID 18562794
1-[(4-chlorophenyl)methyl]-3,5-bis(3,4-dimethylphenyl)pyrazole
CID 19587425
3-[(4-chlorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine
CID 7207290
3-(3,4-dimethoxyphenyl)-6-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine
CID 41376799
5-[[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanylmethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 46329594
3-(4-bromophenyl)-6-[(3-chlorophenyl)methylsulfanyl]pyridazine
CID 43936866

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylsulfanyl]-6-(3,4-dimethylphenyl)pyridazine?
The IUPAC name of 3-[(4-chlorophenyl)methylsulfanyl]-6-(3,4-dimethylphenyl)pyridazine (CID 43937023) is 3-[(4-chlorophenyl)methylsulfanyl]-6-(3,4-dimethylphenyl)pyridazine.
What is the SMILES notation for 3-[(4-chlorophenyl)methylsulfanyl]-6-(3,4-dimethylphenyl)pyridazine?
The canonical SMILES for 3-[(4-chlorophenyl)methylsulfanyl]-6-(3,4-dimethylphenyl)pyridazine is Cc1ccc(-c2ccc(SCc3ccc(Cl)cc3)nn2)cc1C.
What is the InChIKey of 3-[(4-chlorophenyl)methylsulfanyl]-6-(3,4-dimethylphenyl)pyridazine?
The InChIKey is GVQSZWADZHFYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2S/c1-13-3-6-16(11-14(13)2)18-9-10-19(22-21-18)23-12-15-4-7-17(20)8-5-15/h3-11H,12H2,1-2H3.
What are the key properties of 3-[(4-chlorophenyl)methylsulfanyl]-6-(3,4-dimethylphenyl)pyridazine?
3-[(4-chlorophenyl)methylsulfanyl]-6-(3,4-dimethylphenyl)pyridazine has a molecular weight of 340.88 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylsulfanyl]-6-(3,4-dimethylphenyl)pyridazine is sourced from PubChem (CID 43937023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).