bis(10,10-dioxophenoxathiin-1-yl)methanone

C25H14O7S2 — CID 57273818

IUPACbis(10,10-dioxophenoxathiin-1-yl)methanone
SMILESO=C(c1cccc2c1S(=O)(=O)c1ccccc1O2)c1cccc2c1S(=O)(=O)c1ccccc1O2
InChIInChI=1S/C25H14O7S2/c26-23(15-7-5-11-19-24(15)33(27,28)21-13-3-1-9-17(21)31-19)16-8-6-12-20-25(16)34(29,30)22-14-4-2-10-18(22)32-20/h1-14H
InChIKeyVIYXOXAGXHCTET-UHFFFAOYSA-N
MW490.51 g/mol
LogP4.79
Rot. Bonds2

About bis(10,10-dioxophenoxathiin-1-yl)methanone

bis(10,10-dioxophenoxathiin-1-yl)methanone (PubChem CID 57273818) has the molecular formula C25H14O7S2 and a molecular weight of 490.51 g/mol. Its IUPAC name is bis(10,10-dioxophenoxathiin-1-yl)methanone.

Molecular Properties

Compound Namebis(10,10-dioxophenoxathiin-1-yl)methanone
PubChem CID57273818
Molecular FormulaC25H14O7S2
Molecular Weight490.51 g/mol
Exact Mass490.02
IUPAC Namebis(10,10-dioxophenoxathiin-1-yl)methanone
SMILESO=C(c1cccc2c1S(=O)(=O)c1ccccc1O2)c1cccc2c1S(=O)(=O)c1ccccc1O2
InChIInChI=1S/C25H14O7S2/c26-23(15-7-5-11-19-24(15)33(27,28)21-13-3-1-9-17(21)31-19)16-8-6-12-20-25(16)34(29,30)22-14-4-2-10-18(22)32-20/h1-14H
InChIKeyVIYXOXAGXHCTET-UHFFFAOYSA-N
XLogP4.79
TPSA103.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.51
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Methyl 2-(10,10-dioxophenoxathiin-1-yl)-2-oxoacetate
CID 10495759
1-(8-Acetyl-10,10-dioxophenoxathiin-3-yl)ethanone
CID 10757764
1-(10,10-Dioxo-10H-10lambda*6*-phenoxathiin-1-yl)-ethanone
CID 10333539
1,9-Dicarboxyphenoxathiin-10,10-dioxide
CID 3535325
1-Ethylphenoxathiine 10-oxide
CID 10776695
10,10-Dioxophenoxathiine-1-carbaldehyde
CID 10587401
[2-(10,10-Dioxophenoxathiin-1-yl)-2-oxoethyl] acetate
CID 10782786
1-(10,10-Dioxophenoxathiin-1-yl)-2,2,2-trifluoroethanone
CID 10853701
10,10-Dioxophenoxathiine-1-carboxylic acid
CID 44307456
3-Acetylphenoxathiin
CID 618023
8-Methoxy-1,1-dioxo-2-phenylthiochromen-4-one
CID 339171
10-(5-benzoyl-2-methoxyphenyl)-10H-phenoxathiin-10-ium trifluoromethanesulfonate
CID 165436444

Frequently Asked Questions

What is the IUPAC name of bis(10,10-dioxophenoxathiin-1-yl)methanone?
The IUPAC name of bis(10,10-dioxophenoxathiin-1-yl)methanone (CID 57273818) is bis(10,10-dioxophenoxathiin-1-yl)methanone.
What is the SMILES notation for bis(10,10-dioxophenoxathiin-1-yl)methanone?
The canonical SMILES for bis(10,10-dioxophenoxathiin-1-yl)methanone is O=C(c1cccc2c1S(=O)(=O)c1ccccc1O2)c1cccc2c1S(=O)(=O)c1ccccc1O2.
What is the InChIKey of bis(10,10-dioxophenoxathiin-1-yl)methanone?
The InChIKey is VIYXOXAGXHCTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14O7S2/c26-23(15-7-5-11-19-24(15)33(27,28)21-13-3-1-9-17(21)31-19)16-8-6-12-20-25(16)34(29,30)22-14-4-2-10-18(22)32-20/h1-14H.
What are the key properties of bis(10,10-dioxophenoxathiin-1-yl)methanone?
bis(10,10-dioxophenoxathiin-1-yl)methanone has a molecular weight of 490.51 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(10,10-dioxophenoxathiin-1-yl)methanone is sourced from PubChem (CID 57273818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).