1-(10,10-dioxophenoxathiin-1-yl)ethanone

C14H10O4S — CID 10333539

IUPAC1-(10,10-dioxophenoxathiin-1-yl)ethanone
SMILESCC(=O)c1cccc2c1S(=O)(=O)c1ccccc1O2
InChIInChI=1S/C14H10O4S/c1-9(15)10-5-4-7-12-14(10)19(16,17)13-8-3-2-6-11(13)18-12/h2-8H,1H3
InChIKeyUALGAWZECPBKOD-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.83
Rot. Bonds1

About 1-(10,10-dioxophenoxathiin-1-yl)ethanone

1-(10,10-dioxophenoxathiin-1-yl)ethanone (PubChem CID 10333539) has the molecular formula C14H10O4S and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-(10,10-dioxophenoxathiin-1-yl)ethanone.

Molecular Properties

Compound Name1-(10,10-dioxophenoxathiin-1-yl)ethanone
PubChem CID10333539
Molecular FormulaC14H10O4S
Molecular Weight274.30 g/mol
Exact Mass274.03
IUPAC Name1-(10,10-dioxophenoxathiin-1-yl)ethanone
SMILESCC(=O)c1cccc2c1S(=O)(=O)c1ccccc1O2
InChIInChI=1S/C14H10O4S/c1-9(15)10-5-4-7-12-14(10)19(16,17)13-8-3-2-6-11(13)18-12/h2-8H,1H3
InChIKeyUALGAWZECPBKOD-UHFFFAOYSA-N
XLogP2.83
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Ethylphenoxathiin 10,10-dioxide
CID 126111
1-(3-Methoxyphenyl)-2-(phenylsulfonyl)ethanone
CID 16750524
2-Methoxythioxanthone
CID 617984
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(phenylsulfonyl)ethanone
CID 975410
1-(10,10-Dioxophenoxathiin-2-yl)ethanone
CID 515177
1-Ethenylphenoxathiine 10,10-dioxide
CID 10038124
4H-1-Benzothiopyran-4-one, 6-methoxy-2-phenyl-
CID 100772
2,3-Dihydro-6-methoxy-4H-1-benzothiopyran-4-one
CID 10559726
8-Hydroxy-2-phenyl-4H-1-benzothiopyran-4-one-1,1-dioxide
CID 341768
1,3-Diarylprop-2-yn-1-one, 13l
CID 11659658
1-Methyl-phenoxathiine 10,10-dioxide
CID 10490634
Methyl 2-(10,10-dioxophenoxathiin-1-yl)-2-oxoacetate
CID 10495759

Frequently Asked Questions

What is the IUPAC name of 1-(10,10-dioxophenoxathiin-1-yl)ethanone?
The IUPAC name of 1-(10,10-dioxophenoxathiin-1-yl)ethanone (CID 10333539) is 1-(10,10-dioxophenoxathiin-1-yl)ethanone.
What is the SMILES notation for 1-(10,10-dioxophenoxathiin-1-yl)ethanone?
The canonical SMILES for 1-(10,10-dioxophenoxathiin-1-yl)ethanone is CC(=O)c1cccc2c1S(=O)(=O)c1ccccc1O2.
What is the InChIKey of 1-(10,10-dioxophenoxathiin-1-yl)ethanone?
The InChIKey is UALGAWZECPBKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4S/c1-9(15)10-5-4-7-12-14(10)19(16,17)13-8-3-2-6-11(13)18-12/h2-8H,1H3.
What are the key properties of 1-(10,10-dioxophenoxathiin-1-yl)ethanone?
1-(10,10-dioxophenoxathiin-1-yl)ethanone has a molecular weight of 274.30 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10,10-dioxophenoxathiin-1-yl)ethanone is sourced from PubChem (CID 10333539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).