4-chloro-5-[(2-methylphenyl)methylsulfanyl]-2-phenylpyridazin-3-one

C18H15ClN2OS — CID 9195555

IUPAC4-chloro-5-[(2-methylphenyl)methylsulfanyl]-2-phenylpyridazin-3-one
SMILESCc1ccccc1CSc1cnn(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C18H15ClN2OS/c1-13-7-5-6-8-14(13)12-23-16-11-20-21(18(22)17(16)19)15-9-3-2-4-10-15/h2-11H,12H2,1H3
InChIKeyZSVVHPAPHHNALX-UHFFFAOYSA-N
MW342.85 g/mol
LogP4.49
Rot. Bonds4

About 4-chloro-5-[(2-methylphenyl)methylsulfanyl]-2-phenylpyridazin-3-one

4-chloro-5-[(2-methylphenyl)methylsulfanyl]-2-phenylpyridazin-3-one (PubChem CID 9195555) has the molecular formula C18H15ClN2OS and a molecular weight of 342.85 g/mol. Its IUPAC name is 4-chloro-5-[(2-methylphenyl)methylsulfanyl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(2-methylphenyl)methylsulfanyl]-2-phenylpyridazin-3-one
PubChem CID9195555
Molecular FormulaC18H15ClN2OS
Molecular Weight342.85 g/mol
Exact Mass342.06
IUPAC Name4-chloro-5-[(2-methylphenyl)methylsulfanyl]-2-phenylpyridazin-3-one
SMILESCc1ccccc1CSc1cnn(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C18H15ClN2OS/c1-13-7-5-6-8-14(13)12-23-16-11-20-21(18(22)17(16)19)15-9-3-2-4-10-15/h2-11H,12H2,1H3
InChIKeyZSVVHPAPHHNALX-UHFFFAOYSA-N
XLogP4.49
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)sulfanylpropanoate
CID 9311577
4-chloro-5-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-phenylpyridazin-3-one
CID 9172516
4-chloro-2-phenyl-5-(1-phenyltetrazol-5-yl)sulfanylpyridazin-3-one
CID 9212270
(2S)-2-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-2-phenylacetonitrile
CID 2384934
2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 9195713
2-tert-butyl-4-chloro-5-(naphthalen-1-ylmethylsulfanyl)pyridazin-3-one
CID 22358176
4-chloro-5-(2-methylhydrazinyl)-2-phenylpyridazin-3-one
CID 24998005
1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-3-(2-methylphenyl)sulfonylurea
CID 13489961
2-tert-butyl-4-chloro-5-[(4-phenylphenyl)methylsulfanyl]pyridazin-3-one
CID 13469257
4-chloro-5-[[(2S)-1-hydroxybutan-2-yl]amino]-2-phenylpyridazin-3-one
CID 133434585
4-chloro-5-methyl-2-(3-methylphenyl)pyridazin-3-one
CID 126527319
4-chloro-2-phenyl-5-[[(1S)-1-thiophen-2-ylethyl]amino]pyridazin-3-one
CID 9109290

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(2-methylphenyl)methylsulfanyl]-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(2-methylphenyl)methylsulfanyl]-2-phenylpyridazin-3-one (CID 9195555) is 4-chloro-5-[(2-methylphenyl)methylsulfanyl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(2-methylphenyl)methylsulfanyl]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(2-methylphenyl)methylsulfanyl]-2-phenylpyridazin-3-one is Cc1ccccc1CSc1cnn(-c2ccccc2)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-[(2-methylphenyl)methylsulfanyl]-2-phenylpyridazin-3-one?
The InChIKey is ZSVVHPAPHHNALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2OS/c1-13-7-5-6-8-14(13)12-23-16-11-20-21(18(22)17(16)19)15-9-3-2-4-10-15/h2-11H,12H2,1H3.
What are the key properties of 4-chloro-5-[(2-methylphenyl)methylsulfanyl]-2-phenylpyridazin-3-one?
4-chloro-5-[(2-methylphenyl)methylsulfanyl]-2-phenylpyridazin-3-one has a molecular weight of 342.85 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(2-methylphenyl)methylsulfanyl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 9195555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).