4-methyl-10,10-dioxothioxanthen-9-one

C14H10O3S — CID 5257565

IUPAC4-methyl-10,10-dioxothioxanthen-9-one
SMILESCc1cccc2c1S(=O)(=O)c1ccccc1C2=O
InChIInChI=1S/C14H10O3S/c1-9-5-4-7-11-13(15)10-6-2-3-8-12(10)18(16,17)14(9)11/h2-8H,1H3
InChIKeyKYJQKMARZQXYGC-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.37
Rot. Bonds

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

4-methyl-10,10-dioxothioxanthen-9-one (PubChem CID 5257565) has the molecular formula C14H10O3S and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-methyl-10,10-dioxothioxanthen-9-one.

Molecular Properties

Compound Name4-methyl-10,10-dioxothioxanthen-9-one
PubChem CID5257565
Molecular FormulaC14H10O3S
Molecular Weight258.30 g/mol
Exact Mass258.04
IUPAC Name4-methyl-10,10-dioxothioxanthen-9-one
SMILESCc1cccc2c1S(=O)(=O)c1ccccc1C2=O
InChIInChI=1S/C14H10O3S/c1-9-5-4-7-11-13(15)10-6-2-3-8-12(10)18(16,17)14(9)11/h2-8H,1H3
InChIKeyKYJQKMARZQXYGC-UHFFFAOYSA-N
XLogP2.37
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-10,10-dioxothioxanthen-9-one?
The IUPAC name of 4-methyl-10,10-dioxothioxanthen-9-one (CID 5257565) is 4-methyl-10,10-dioxothioxanthen-9-one.
What is the SMILES notation for 4-methyl-10,10-dioxothioxanthen-9-one?
The canonical SMILES for 4-methyl-10,10-dioxothioxanthen-9-one is Cc1cccc2c1S(=O)(=O)c1ccccc1C2=O.
What is the InChIKey of 4-methyl-10,10-dioxothioxanthen-9-one?
The InChIKey is KYJQKMARZQXYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3S/c1-9-5-4-7-11-13(15)10-6-2-3-8-12(10)18(16,17)14(9)11/h2-8H,1H3.
What are the key properties of 4-methyl-10,10-dioxothioxanthen-9-one?
4-methyl-10,10-dioxothioxanthen-9-one has a molecular weight of 258.30 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-10,10-dioxothioxanthen-9-one is sourced from PubChem (CID 5257565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).