4-chloro-6-(2,4-dichlorophenyl)sulfanyl-3-phenylpyridazine

C16H9Cl3N2S — CID 6411391

IUPAC4-chloro-6-(2,4-dichlorophenyl)sulfanyl-3-phenylpyridazine
SMILESClc1ccc(Sc2cc(Cl)c(-c3ccccc3)nn2)c(Cl)c1
InChIInChI=1S/C16H9Cl3N2S/c17-11-6-7-14(12(18)8-11)22-15-9-13(19)16(21-20-15)10-4-2-1-3-5-10/h1-9H
InChIKeyPUDQGOLOQJXJOS-UHFFFAOYSA-N
MW367.69 g/mol
LogP6.26
Rot. Bonds3

About 4-chloro-6-(2,4-dichlorophenyl)sulfanyl-3-phenylpyridazine

4-chloro-6-(2,4-dichlorophenyl)sulfanyl-3-phenylpyridazine (PubChem CID 6411391) has the molecular formula C16H9Cl3N2S and a molecular weight of 367.69 g/mol. Its IUPAC name is 4-chloro-6-(2,4-dichlorophenyl)sulfanyl-3-phenylpyridazine.

Molecular Properties

Compound Name4-chloro-6-(2,4-dichlorophenyl)sulfanyl-3-phenylpyridazine
PubChem CID6411391
Molecular FormulaC16H9Cl3N2S
Molecular Weight367.69 g/mol
Exact Mass365.96
IUPAC Name4-chloro-6-(2,4-dichlorophenyl)sulfanyl-3-phenylpyridazine
SMILESClc1ccc(Sc2cc(Cl)c(-c3ccccc3)nn2)c(Cl)c1
InChIInChI=1S/C16H9Cl3N2S/c17-11-6-7-14(12(18)8-11)22-15-9-13(19)16(21-20-15)10-4-2-1-3-5-10/h1-9H
InChIKeyPUDQGOLOQJXJOS-UHFFFAOYSA-N
XLogP6.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.69
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,4-dichlorophenyl)sulfanyl-3-phenylpyridazine?
The IUPAC name of 4-chloro-6-(2,4-dichlorophenyl)sulfanyl-3-phenylpyridazine (CID 6411391) is 4-chloro-6-(2,4-dichlorophenyl)sulfanyl-3-phenylpyridazine.
What is the SMILES notation for 4-chloro-6-(2,4-dichlorophenyl)sulfanyl-3-phenylpyridazine?
The canonical SMILES for 4-chloro-6-(2,4-dichlorophenyl)sulfanyl-3-phenylpyridazine is Clc1ccc(Sc2cc(Cl)c(-c3ccccc3)nn2)c(Cl)c1.
What is the InChIKey of 4-chloro-6-(2,4-dichlorophenyl)sulfanyl-3-phenylpyridazine?
The InChIKey is PUDQGOLOQJXJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl3N2S/c17-11-6-7-14(12(18)8-11)22-15-9-13(19)16(21-20-15)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 4-chloro-6-(2,4-dichlorophenyl)sulfanyl-3-phenylpyridazine?
4-chloro-6-(2,4-dichlorophenyl)sulfanyl-3-phenylpyridazine has a molecular weight of 367.69 g/mol, XLogP of 6.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,4-dichlorophenyl)sulfanyl-3-phenylpyridazine is sourced from PubChem (CID 6411391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).