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

C20H18Cl2N2S — CID 43937004

IUPAC3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine
SMILESCc1cc(C)c(-c2ccc(SCc3ccc(Cl)c(Cl)c3)nn2)cc1C
InChIInChI=1S/C20H18Cl2N2S/c1-12-8-14(3)16(9-13(12)2)19-6-7-20(24-23-19)25-11-15-4-5-17(21)18(22)10-15/h4-10H,11H2,1-3H3
InChIKeyYCXWSQPZBPOONC-UHFFFAOYSA-N
MW389.35 g/mol
LogP6.67
Rot. Bonds4

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

3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine (PubChem CID 43937004) has the molecular formula C20H18Cl2N2S and a molecular weight of 389.35 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine
PubChem CID43937004
Molecular FormulaC20H18Cl2N2S
Molecular Weight389.35 g/mol
Exact Mass388.06
IUPAC Name3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine
SMILESCc1cc(C)c(-c2ccc(SCc3ccc(Cl)c(Cl)c3)nn2)cc1C
InChIInChI=1S/C20H18Cl2N2S/c1-12-8-14(3)16(9-13(12)2)19-6-7-20(24-23-19)25-11-15-4-5-17(21)18(22)10-15/h4-10H,11H2,1-3H3
InChIKeyYCXWSQPZBPOONC-UHFFFAOYSA-N
XLogP6.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.35
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine
CID 43936923
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine
CID 43937068
3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(3,4-dimethoxyphenyl)pyridazine
CID 43936895
3-[(3,4-dichlorophenyl)methylsulfanyl]-6-pyridin-4-ylpyridazine
CID 41084936
N-(3,4-dichlorophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936797
3-methylsulfanyl-6-(2,4,5-trimethylphenyl)pyridazine
CID 7673097
3-[(4-chlorophenyl)methylsulfanyl]-6-(3,4-dimethylphenyl)pyridazine
CID 43937023
3-(2,4-dimethylphenyl)-6-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine
CID 43936965
3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2-methylimidazol-1-yl)pyridazine
CID 121031404
3-[(3-chlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine
CID 7206088
3-[(3,4-dichlorophenyl)methylsulfanyl]-5-methyl-4-propan-2-yl-1,2,4-triazole
CID 19716025
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,5-dimethylphenyl)pyridazine
CID 43937055

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine?
The IUPAC name of 3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine (CID 43937004) is 3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine is Cc1cc(C)c(-c2ccc(SCc3ccc(Cl)c(Cl)c3)nn2)cc1C.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine?
The InChIKey is YCXWSQPZBPOONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2S/c1-12-8-14(3)16(9-13(12)2)19-6-7-20(24-23-19)25-11-15-4-5-17(21)18(22)10-15/h4-10H,11H2,1-3H3.
What are the key properties of 3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine?
3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine has a molecular weight of 389.35 g/mol, XLogP of 6.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine is sourced from PubChem (CID 43937004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).