4-ethyl-10,10-dioxothioxanthen-9-one

C15H12O3S — CID 10564103

IUPAC4-ethyl-10,10-dioxothioxanthen-9-one
SMILESCCc1cccc2c1S(=O)(=O)c1ccccc1C2=O
InChIInChI=1S/C15H12O3S/c1-2-10-6-5-8-12-14(16)11-7-3-4-9-13(11)19(17,18)15(10)12/h3-9H,2H2,1H3
InChIKeyKSBFVZFCGZLIHF-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.63
Rot. Bonds1

About 4-ethyl-10,10-dioxothioxanthen-9-one

4-ethyl-10,10-dioxothioxanthen-9-one (PubChem CID 10564103) has the molecular formula C15H12O3S and a molecular weight of 272.32 g/mol. Its IUPAC name is 4-ethyl-10,10-dioxothioxanthen-9-one.

Molecular Properties

Compound Name4-ethyl-10,10-dioxothioxanthen-9-one
PubChem CID10564103
Molecular FormulaC15H12O3S
Molecular Weight272.32 g/mol
Exact Mass272.05
IUPAC Name4-ethyl-10,10-dioxothioxanthen-9-one
SMILESCCc1cccc2c1S(=O)(=O)c1ccccc1C2=O
InChIInChI=1S/C15H12O3S/c1-2-10-6-5-8-12-14(16)11-7-3-4-9-13(11)19(17,18)15(10)12/h3-9H,2H2,1H3
InChIKeyKSBFVZFCGZLIHF-UHFFFAOYSA-N
XLogP2.63
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3,4-dihydro-2H-1lambda6-benzothiopyran-1,1,4-trione
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2-Phenyl-4H-1-benzothiopyran-4-one
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2-(Phenylsulfonyl)-1-p-tolylethanone
CID 15627039
Thioxanthen-9-one 10,10-dioxide
CID 220255
1-[4-(Phenylsulfinyl)phenyl]-1-ethanone
CID 1487167
Thiochroman-4-one
CID 19048
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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-10,10-dioxothioxanthen-9-one?
The IUPAC name of 4-ethyl-10,10-dioxothioxanthen-9-one (CID 10564103) is 4-ethyl-10,10-dioxothioxanthen-9-one.
What is the SMILES notation for 4-ethyl-10,10-dioxothioxanthen-9-one?
The canonical SMILES for 4-ethyl-10,10-dioxothioxanthen-9-one is CCc1cccc2c1S(=O)(=O)c1ccccc1C2=O.
What is the InChIKey of 4-ethyl-10,10-dioxothioxanthen-9-one?
The InChIKey is KSBFVZFCGZLIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3S/c1-2-10-6-5-8-12-14(16)11-7-3-4-9-13(11)19(17,18)15(10)12/h3-9H,2H2,1H3.
What are the key properties of 4-ethyl-10,10-dioxothioxanthen-9-one?
4-ethyl-10,10-dioxothioxanthen-9-one has a molecular weight of 272.32 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-10,10-dioxothioxanthen-9-one is sourced from PubChem (CID 10564103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).