10,10-dioxothioxanthen-9-one;ethane

C15H14O3S — CID 142164564

IUPAC10,10-dioxothioxanthen-9-one;ethane
SMILESCC.O=C1c2ccccc2S(=O)(=O)c2ccccc21
InChIInChI=1S/C13H8O3S.C2H6/c14-13-9-5-1-3-7-11(9)17(15,16)12-8-4-2-6-10(12)13;1-2/h1-8H;1-2H3
InChIKeyDCFAYLUBLIJNED-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.09
Rot. Bonds

About 10,10-dioxothioxanthen-9-one;ethane

10,10-dioxothioxanthen-9-one;ethane (PubChem CID 142164564) has the molecular formula C15H14O3S and a molecular weight of 274.34 g/mol. Its IUPAC name is 10,10-dioxothioxanthen-9-one;ethane.

Molecular Properties

Compound Name10,10-dioxothioxanthen-9-one;ethane
PubChem CID142164564
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Name10,10-dioxothioxanthen-9-one;ethane
SMILESCC.O=C1c2ccccc2S(=O)(=O)c2ccccc21
InChIInChI=1S/C13H8O3S.C2H6/c14-13-9-5-1-3-7-11(9)17(15,16)12-8-4-2-6-10(12)13;1-2/h1-8H;1-2H3
InChIKeyDCFAYLUBLIJNED-UHFFFAOYSA-N
XLogP3.09
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-methyl-10,10-dioxothioxanthen-9-one
CID 145125707
carbanide;dibenzothiophene 5,5-dioxide;ethane;tricosakis(yttrium)
CID 158868960
4-ethyl-10,10-dioxothioxanthen-9-one
CID 10564103
2,3-dibromo-1,1-dioxothiochromen-4-one
CID 12614496
9,10,10-trioxothioxanthene-4-carbonitrile
CID 10492181
anthracene-9,10-dione;carbanide;ethane;yttrium
CID 165067148
(2E)-2-[(E)-3-methoxyprop-2-enylidene]-1,1-dioxo-1-benzothiophen-3-one
CID 12067740
10,10-dioxo-3-pyridin-3-ylthioxanthen-9-one
CID 11493501
(2-methoxy-2-oxoethyl) 9,10,10-trioxothioxanthene-3-carboxylate
CID 16568626
3-(4-methylpiperazine-1-carbonyl)-10,10-dioxothioxanthen-9-one
CID 2331605
2-[2-chloro-3-(1,1,3-trioxo-1-benzothiophen-2-ylidene)propylidene]-1,1-dioxo-1-benzothiophen-3-one
CID 91384916
ethane;bis(fluoren-9-one);methanol
CID 162250310

Frequently Asked Questions

What is the IUPAC name of 10,10-dioxothioxanthen-9-one;ethane?
The IUPAC name of 10,10-dioxothioxanthen-9-one;ethane (CID 142164564) is 10,10-dioxothioxanthen-9-one;ethane.
What is the SMILES notation for 10,10-dioxothioxanthen-9-one;ethane?
The canonical SMILES for 10,10-dioxothioxanthen-9-one;ethane is CC.O=C1c2ccccc2S(=O)(=O)c2ccccc21.
What is the InChIKey of 10,10-dioxothioxanthen-9-one;ethane?
The InChIKey is DCFAYLUBLIJNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O3S.C2H6/c14-13-9-5-1-3-7-11(9)17(15,16)12-8-4-2-6-10(12)13;1-2/h1-8H;1-2H3.
What are the key properties of 10,10-dioxothioxanthen-9-one;ethane?
10,10-dioxothioxanthen-9-one;ethane has a molecular weight of 274.34 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dioxothioxanthen-9-one;ethane is sourced from PubChem (CID 142164564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).