3-ethyl-9H-thioxanthene 10,10-dioxide

C15H14O2S — CID 157269849

IUPAC3-ethyl-9H-thioxanthene 10,10-dioxide
SMILESCCc1ccc2c(c1)S(=O)(=O)c1ccccc1C2
InChIInChI=1S/C15H14O2S/c1-2-11-7-8-13-10-12-5-3-4-6-14(12)18(16,17)15(13)9-11/h3-9H,2,10H2,1H3
InChIKeyFQDZVMPFVBICBE-UHFFFAOYSA-N
MW258.34 g/mol
LogP2.99
Rot. Bonds1

About 3-ethyl-9H-thioxanthene 10,10-dioxide

3-ethyl-9H-thioxanthene 10,10-dioxide (PubChem CID 157269849) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 3-ethyl-9H-thioxanthene 10,10-dioxide.

Molecular Properties

Compound Name3-ethyl-9H-thioxanthene 10,10-dioxide
PubChem CID157269849
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name3-ethyl-9H-thioxanthene 10,10-dioxide
SMILESCCc1ccc2c(c1)S(=O)(=O)c1ccccc1C2
InChIInChI=1S/C15H14O2S/c1-2-11-7-8-13-10-12-5-3-4-6-14(12)18(16,17)15(13)9-11/h3-9H,2,10H2,1H3
InChIKeyFQDZVMPFVBICBE-UHFFFAOYSA-N
XLogP2.99
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-9H-thioxanthene 10,10-dioxide
CID 126688682
dibenzothiophene 5,5-dioxide;tetrakis(2-methylpropane);9H-thioxanthene 10,10-dioxide
CID 167573355
2-methyl-10,10-dioxo-9H-thioxanthene-3-sulfonyl chloride
CID 87719750
4-methyl-9H-thioxanthene 10,10-dioxide
CID 134335108
ethane;2-ethyltriphenylene;9H-fluorene
CID 158463433
2-[(3,5-diethylphenyl)methyl]-9H-fluorene
CID 167699473
2,3-dihydroxy-11,11-dioxo-6H-benzo[b][1]benzothiepin-5-one
CID 18340927
1,6-diethyl-9H-fluorene;3,6-diethyl-9H-fluorene
CID 158660658
2-(9-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 17200776
6-ethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
CID 22117289
7-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84621580
10-(4-ethylphenyl)-9H-acridine
CID 131970743

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-9H-thioxanthene 10,10-dioxide?
The IUPAC name of 3-ethyl-9H-thioxanthene 10,10-dioxide (CID 157269849) is 3-ethyl-9H-thioxanthene 10,10-dioxide.
What is the SMILES notation for 3-ethyl-9H-thioxanthene 10,10-dioxide?
The canonical SMILES for 3-ethyl-9H-thioxanthene 10,10-dioxide is CCc1ccc2c(c1)S(=O)(=O)c1ccccc1C2.
What is the InChIKey of 3-ethyl-9H-thioxanthene 10,10-dioxide?
The InChIKey is FQDZVMPFVBICBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c1-2-11-7-8-13-10-12-5-3-4-6-14(12)18(16,17)15(13)9-11/h3-9H,2,10H2,1H3.
What are the key properties of 3-ethyl-9H-thioxanthene 10,10-dioxide?
3-ethyl-9H-thioxanthene 10,10-dioxide has a molecular weight of 258.34 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-9H-thioxanthene 10,10-dioxide is sourced from PubChem (CID 157269849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).