1-(10,10-dioxophenoxathiin-2-yl)ethanone

C14H10O4S — CID 515177

IUPAC1-(10,10-dioxophenoxathiin-2-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1O2
InChIInChI=1S/C14H10O4S/c1-9(15)10-6-7-12-14(8-10)19(16,17)13-5-3-2-4-11(13)18-12/h2-8H,1H3
InChIKeyJTPPWGYSPSGKBR-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.83
Rot. Bonds1

About 1-(10,10-dioxophenoxathiin-2-yl)ethanone

1-(10,10-dioxophenoxathiin-2-yl)ethanone (PubChem CID 515177) has the molecular formula C14H10O4S and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-(10,10-dioxophenoxathiin-2-yl)ethanone.

Molecular Properties

Compound Name1-(10,10-dioxophenoxathiin-2-yl)ethanone
PubChem CID515177
Molecular FormulaC14H10O4S
Molecular Weight274.30 g/mol
Exact Mass274.03
IUPAC Name1-(10,10-dioxophenoxathiin-2-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1O2
InChIInChI=1S/C14H10O4S/c1-9(15)10-6-7-12-14(8-10)19(16,17)13-5-3-2-4-11(13)18-12/h2-8H,1H3
InChIKeyJTPPWGYSPSGKBR-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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Frequently Asked Questions

What is the IUPAC name of 1-(10,10-dioxophenoxathiin-2-yl)ethanone?
The IUPAC name of 1-(10,10-dioxophenoxathiin-2-yl)ethanone (CID 515177) is 1-(10,10-dioxophenoxathiin-2-yl)ethanone.
What is the SMILES notation for 1-(10,10-dioxophenoxathiin-2-yl)ethanone?
The canonical SMILES for 1-(10,10-dioxophenoxathiin-2-yl)ethanone is CC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1O2.
What is the InChIKey of 1-(10,10-dioxophenoxathiin-2-yl)ethanone?
The InChIKey is JTPPWGYSPSGKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4S/c1-9(15)10-6-7-12-14(8-10)19(16,17)13-5-3-2-4-11(13)18-12/h2-8H,1H3.
What are the key properties of 1-(10,10-dioxophenoxathiin-2-yl)ethanone?
1-(10,10-dioxophenoxathiin-2-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-2-yl)ethanone is sourced from PubChem (CID 515177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).