6-chloro-2-[(3R)-1,1-dioxothiolan-3-yl]pyridazin-3-one

C8H9ClN2O3S — CID 51970546

IUPAC6-chloro-2-[(3R)-1,1-dioxothiolan-3-yl]pyridazin-3-one
SMILESO=c1ccc(Cl)nn1[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C8H9ClN2O3S/c9-7-1-2-8(12)11(10-7)6-3-4-15(13,14)5-6/h1-2,6H,3-5H2/t6-/m1/s1
InChIKeyWHPXIXQVTVULOB-ZCFIWIBFSA-N
MW248.69 g/mol
LogP0.26
Rot. Bonds1

About 6-chloro-2-[(3R)-1,1-dioxothiolan-3-yl]pyridazin-3-one

6-chloro-2-[(3R)-1,1-dioxothiolan-3-yl]pyridazin-3-one (PubChem CID 51970546) has the molecular formula C8H9ClN2O3S and a molecular weight of 248.69 g/mol. Its IUPAC name is 6-chloro-2-[(3R)-1,1-dioxothiolan-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-chloro-2-[(3R)-1,1-dioxothiolan-3-yl]pyridazin-3-one
PubChem CID51970546
Molecular FormulaC8H9ClN2O3S
Molecular Weight248.69 g/mol
Exact Mass248.00
IUPAC Name6-chloro-2-[(3R)-1,1-dioxothiolan-3-yl]pyridazin-3-one
SMILESO=c1ccc(Cl)nn1[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C8H9ClN2O3S/c9-7-1-2-8(12)11(10-7)6-3-4-15(13,14)5-6/h1-2,6H,3-5H2/t6-/m1/s1
InChIKeyWHPXIXQVTVULOB-ZCFIWIBFSA-N
XLogP0.26
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.69
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dichloro-2-(1,1-dioxidotetrahydrothien-3-yl)pyridazin-3(2H)-one
CID 16226719
2-Ethyl-6-ethylsulfonyl-3(2H)-pyridazinone
CID 566002
4,5-dichloro-2-[(3R)-1,1-dioxothiolan-3-yl]pyridazin-3-one
CID 7130727
4,5-dichloro-2-[(3S)-1,1-dioxothiolan-3-yl]pyridazin-3-one
CID 7130728
6-chloro-2-(1,1-dioxidotetrahydrothiophen-3-yl)pyridazin-3(2H)-one
CID 49651996
6-chloro-2-[(3S)-1,1-dioxothiolan-3-yl]pyridazin-3-one
CID 51970547

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(3R)-1,1-dioxothiolan-3-yl]pyridazin-3-one?
The IUPAC name of 6-chloro-2-[(3R)-1,1-dioxothiolan-3-yl]pyridazin-3-one (CID 51970546) is 6-chloro-2-[(3R)-1,1-dioxothiolan-3-yl]pyridazin-3-one.
What is the SMILES notation for 6-chloro-2-[(3R)-1,1-dioxothiolan-3-yl]pyridazin-3-one?
The canonical SMILES for 6-chloro-2-[(3R)-1,1-dioxothiolan-3-yl]pyridazin-3-one is O=c1ccc(Cl)nn1[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of 6-chloro-2-[(3R)-1,1-dioxothiolan-3-yl]pyridazin-3-one?
The InChIKey is WHPXIXQVTVULOB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H9ClN2O3S/c9-7-1-2-8(12)11(10-7)6-3-4-15(13,14)5-6/h1-2,6H,3-5H2/t6-/m1/s1.
What are the key properties of 6-chloro-2-[(3R)-1,1-dioxothiolan-3-yl]pyridazin-3-one?
6-chloro-2-[(3R)-1,1-dioxothiolan-3-yl]pyridazin-3-one has a molecular weight of 248.69 g/mol, XLogP of 0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(3R)-1,1-dioxothiolan-3-yl]pyridazin-3-one is sourced from PubChem (CID 51970546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).