2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone

C19H16N2OS — CID 7206012

IUPAC2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone
SMILESCc1ccc(-c2ccc(SCC(=O)c3ccccc3)nn2)cc1
InChIInChI=1S/C19H16N2OS/c1-14-7-9-15(10-8-14)17-11-12-19(21-20-17)23-13-18(22)16-5-3-2-4-6-16/h2-12H,13H2,1H3
InChIKeyOHODLBAQKBIMGA-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.43
Rot. Bonds5

About 2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone

2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone (PubChem CID 7206012) has the molecular formula C19H16N2OS and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone.

Molecular Properties

Compound Name2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone
PubChem CID7206012
Molecular FormulaC19H16N2OS
Molecular Weight320.42 g/mol
Exact Mass320.10
IUPAC Name2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone
SMILESCc1ccc(-c2ccc(SCC(=O)c3ccccc3)nn2)cc1
InChIInChI=1S/C19H16N2OS/c1-14-7-9-15(10-8-14)17-11-12-19(21-20-17)23-13-18(22)16-5-3-2-4-6-16/h2-12H,13H2,1H3
InChIKeyOHODLBAQKBIMGA-UHFFFAOYSA-N
XLogP4.43
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 24951321
CID 24951321
CID 7205727
CID 7205727
CID 7205744
CID 7205744
CID 7205740
CID 7205740
CID 7205803
CID 7205803
CID 7205915
CID 7205915
CID 6418773
CID 6418773
CID 6624187
CID 6624187
CID 7206130
CID 7206130
CID 20900463
CID 20900463
CID 123705339
CID 123705339
CID 123853981
CID 123853981

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone?
The IUPAC name of 2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone (CID 7206012) is 2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone.
What is the SMILES notation for 2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone?
The canonical SMILES for 2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone is Cc1ccc(-c2ccc(SCC(=O)c3ccccc3)nn2)cc1.
What is the InChIKey of 2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone?
The InChIKey is OHODLBAQKBIMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2OS/c1-14-7-9-15(10-8-14)17-11-12-19(21-20-17)23-13-18(22)16-5-3-2-4-6-16/h2-12H,13H2,1H3.
What are the key properties of 2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone?
2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone has a molecular weight of 320.42 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone is sourced from PubChem (CID 7206012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).