4,5-dichloro-2-[(3R)-1,1-dioxothiolan-3-yl]pyridazin-3-one

C8H8Cl2N2O3S — CID 7130727

IUPAC4,5-dichloro-2-[(3R)-1,1-dioxothiolan-3-yl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C8H8Cl2N2O3S/c9-6-3-11-12(8(13)7(6)10)5-1-2-16(14,15)4-5/h3,5H,1-2,4H2/t5-/m1/s1
InChIKeyOMIAKVZCMUVOLP-RXMQYKEDSA-N
MW283.14 g/mol
LogP0.91
Rot. Bonds1

About 4,5-dichloro-2-[(3R)-1,1-dioxothiolan-3-yl]pyridazin-3-one

4,5-dichloro-2-[(3R)-1,1-dioxothiolan-3-yl]pyridazin-3-one (PubChem CID 7130727) has the molecular formula C8H8Cl2N2O3S and a molecular weight of 283.14 g/mol. Its IUPAC name is 4,5-dichloro-2-[(3R)-1,1-dioxothiolan-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[(3R)-1,1-dioxothiolan-3-yl]pyridazin-3-one
PubChem CID7130727
Molecular FormulaC8H8Cl2N2O3S
Molecular Weight283.14 g/mol
Exact Mass281.96
IUPAC Name4,5-dichloro-2-[(3R)-1,1-dioxothiolan-3-yl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C8H8Cl2N2O3S/c9-6-3-11-12(8(13)7(6)10)5-1-2-16(14,15)4-5/h3,5H,1-2,4H2/t5-/m1/s1
InChIKeyOMIAKVZCMUVOLP-RXMQYKEDSA-N
XLogP0.91
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.14
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4876125
4,5-dichloro-2-(1,1-dioxidotetrahydrothien-3-yl)pyridazin-3(2H)-one
CID 16226719
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 4881533
N-cyclopentyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 16332604
N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 16332605
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2539135
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 2577586
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 6600221
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 6600708
4,5-dichloro-2-[(3S)-1,1-dioxothiolan-3-yl]pyridazin-3-one
CID 7130728
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylacetamide
CID 7613390
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide
CID 7613392

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[(3R)-1,1-dioxothiolan-3-yl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[(3R)-1,1-dioxothiolan-3-yl]pyridazin-3-one (CID 7130727) is 4,5-dichloro-2-[(3R)-1,1-dioxothiolan-3-yl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[(3R)-1,1-dioxothiolan-3-yl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[(3R)-1,1-dioxothiolan-3-yl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of 4,5-dichloro-2-[(3R)-1,1-dioxothiolan-3-yl]pyridazin-3-one?
The InChIKey is OMIAKVZCMUVOLP-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H8Cl2N2O3S/c9-6-3-11-12(8(13)7(6)10)5-1-2-16(14,15)4-5/h3,5H,1-2,4H2/t5-/m1/s1.
What are the key properties of 4,5-dichloro-2-[(3R)-1,1-dioxothiolan-3-yl]pyridazin-3-one?
4,5-dichloro-2-[(3R)-1,1-dioxothiolan-3-yl]pyridazin-3-one has a molecular weight of 283.14 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[(3R)-1,1-dioxothiolan-3-yl]pyridazin-3-one is sourced from PubChem (CID 7130727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).