3-(4-bromophenyl)-6-[(4-chlorophenyl)methylsulfanyl]pyridazine

C17H12BrClN2S — CID 43936867

IUPAC3-(4-bromophenyl)-6-[(4-chlorophenyl)methylsulfanyl]pyridazine
SMILESClc1ccc(CSc2ccc(-c3ccc(Br)cc3)nn2)cc1
InChIInChI=1S/C17H12BrClN2S/c18-14-5-3-13(4-6-14)16-9-10-17(21-20-16)22-11-12-1-7-15(19)8-2-12/h1-10H,11H2
InChIKeyJRCKKOLFXVNXQT-UHFFFAOYSA-N
MW391.72 g/mol
LogP5.85
Rot. Bonds4

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

3-(4-bromophenyl)-6-[(4-chlorophenyl)methylsulfanyl]pyridazine (PubChem CID 43936867) has the molecular formula C17H12BrClN2S and a molecular weight of 391.72 g/mol. Its IUPAC name is 3-(4-bromophenyl)-6-[(4-chlorophenyl)methylsulfanyl]pyridazine.

Molecular Properties

Compound Name3-(4-bromophenyl)-6-[(4-chlorophenyl)methylsulfanyl]pyridazine
PubChem CID43936867
Molecular FormulaC17H12BrClN2S
Molecular Weight391.72 g/mol
Exact Mass389.96
IUPAC Name3-(4-bromophenyl)-6-[(4-chlorophenyl)methylsulfanyl]pyridazine
SMILESClc1ccc(CSc2ccc(-c3ccc(Br)cc3)nn2)cc1
InChIInChI=1S/C17H12BrClN2S/c18-14-5-3-13(4-6-14)16-9-10-17(21-20-16)22-11-12-1-7-15(19)8-2-12/h1-10H,11H2
InChIKeyJRCKKOLFXVNXQT-UHFFFAOYSA-N
XLogP5.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.72
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)-6-[(3-chlorophenyl)methylsulfanyl]pyridazine
CID 43936866
3-[(4-chlorophenyl)methylsulfanyl]-6-(3,4-dimethylphenyl)pyridazine
CID 43937023
3-chloro-6-[(4-chlorophenyl)methylsulfanyl]pyridazine
CID 45030918
2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylacetonitrile
CID 7672392
3-[(4-chlorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine
CID 7207290
3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyridazine
CID 7205692
5-[[6-(4-bromophenyl)pyridazin-3-yl]sulfanylmethyl]-3-(4-ethylphenyl)-1,2,4-oxadiazole
CID 46329570
3-[(3,4-dichlorophenyl)methylsulfanyl]-6-pyridin-4-ylpyridazine
CID 41084936
5-[6-[(4-chlorophenyl)methylsulfanyl]pyridazin-3-yl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole
CID 18562794
3,6-bis(4-chlorophenyl)pyridazine
CID 11197367
5-[6-[(4-bromophenyl)methylsulfanyl]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole
CID 7222622
3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(3,4-dimethoxyphenyl)pyridazine
CID 43936895

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-6-[(4-chlorophenyl)methylsulfanyl]pyridazine?
The IUPAC name of 3-(4-bromophenyl)-6-[(4-chlorophenyl)methylsulfanyl]pyridazine (CID 43936867) is 3-(4-bromophenyl)-6-[(4-chlorophenyl)methylsulfanyl]pyridazine.
What is the SMILES notation for 3-(4-bromophenyl)-6-[(4-chlorophenyl)methylsulfanyl]pyridazine?
The canonical SMILES for 3-(4-bromophenyl)-6-[(4-chlorophenyl)methylsulfanyl]pyridazine is Clc1ccc(CSc2ccc(-c3ccc(Br)cc3)nn2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-6-[(4-chlorophenyl)methylsulfanyl]pyridazine?
The InChIKey is JRCKKOLFXVNXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClN2S/c18-14-5-3-13(4-6-14)16-9-10-17(21-20-16)22-11-12-1-7-15(19)8-2-12/h1-10H,11H2.
What are the key properties of 3-(4-bromophenyl)-6-[(4-chlorophenyl)methylsulfanyl]pyridazine?
3-(4-bromophenyl)-6-[(4-chlorophenyl)methylsulfanyl]pyridazine has a molecular weight of 391.72 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-6-[(4-chlorophenyl)methylsulfanyl]pyridazine is sourced from PubChem (CID 43936867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).