4-chloro-5-methylsulfanyl-2-phenylpyridazin-3-one

C11H9ClN2OS — CID 779700

IUPAC4-chloro-5-methylsulfanyl-2-phenylpyridazin-3-one
SMILESCSc1cnn(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C11H9ClN2OS/c1-16-9-7-13-14(11(15)10(9)12)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyCZLNRHWNIFQJHA-UHFFFAOYSA-N
MW252.73 g/mol
LogP2.61
Rot. Bonds2

About 4-chloro-5-methylsulfanyl-2-phenylpyridazin-3-one

4-chloro-5-methylsulfanyl-2-phenylpyridazin-3-one (PubChem CID 779700) has the molecular formula C11H9ClN2OS and a molecular weight of 252.73 g/mol. Its IUPAC name is 4-chloro-5-methylsulfanyl-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-methylsulfanyl-2-phenylpyridazin-3-one
PubChem CID779700
Molecular FormulaC11H9ClN2OS
Molecular Weight252.73 g/mol
Exact Mass252.01
IUPAC Name4-chloro-5-methylsulfanyl-2-phenylpyridazin-3-one
SMILESCSc1cnn(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C11H9ClN2OS/c1-16-9-7-13-14(11(15)10(9)12)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyCZLNRHWNIFQJHA-UHFFFAOYSA-N
XLogP2.61
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Chloridazon
CID 15546
4,5-Dichloro-2-phenyl-3(2H)-pyridazinone
CID 72813
4,5-Dichloro-2-(3-methylphenyl)pyridazin-3-one
CID 779573
4-Chloro-5-(methylamino)-2-phenyl-3(2H)-pyridazinone
CID 74335
4-Chloro-5-ethoxy-2-phenyl-3(2H)-pyridazinone
CID 248680
4-chloro-5-(dimethylamino)-2-phenyl-3(2H)-pyridazinone
CID 77298
4-Chloro-5-(ethylsulfanyl)-2-phenyl-3(2H)-pyridazinone
CID 555843
4-amino-5-chloro-2-phenylpyridazin-3(2H)-one
CID 613445
4,5-Dichloro-2-(4-chlorophenyl)-3(2H)-pyridazinone
CID 779402
2H-Pyridazin-3-one, 4-chloro-5-cyclopropylamino-2-phenyl-
CID 962629
4,6-Dichloro-2-phenyl-3(2H)-pyridazinone
CID 561606
3(2H)-Pyridazinone, 4,5-bis(ethylthio)-2-phenyl-
CID 621902

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methylsulfanyl-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-methylsulfanyl-2-phenylpyridazin-3-one (CID 779700) is 4-chloro-5-methylsulfanyl-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-methylsulfanyl-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-methylsulfanyl-2-phenylpyridazin-3-one is CSc1cnn(-c2ccccc2)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-methylsulfanyl-2-phenylpyridazin-3-one?
The InChIKey is CZLNRHWNIFQJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2OS/c1-16-9-7-13-14(11(15)10(9)12)8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of 4-chloro-5-methylsulfanyl-2-phenylpyridazin-3-one?
4-chloro-5-methylsulfanyl-2-phenylpyridazin-3-one has a molecular weight of 252.73 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methylsulfanyl-2-phenylpyridazin-3-one is sourced from PubChem (CID 779700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).