2-(9H-thioxanthen-9-yl)-1,3-dioxolane

C16H14O2S — CID 11587116

IUPAC2-(9H-thioxanthen-9-yl)-1,3-dioxolane
SMILESc1ccc2c(c1)Sc1ccccc1C2C1OCCO1
InChIInChI=1S/C16H14O2S/c1-3-7-13-11(5-1)15(16-17-9-10-18-16)12-6-2-4-8-14(12)19-13/h1-8,15-16H,9-10H2
InChIKeyWCKZSJCWWWNRSF-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.66
Rot. Bonds1

About 2-(9H-thioxanthen-9-yl)-1,3-dioxolane

2-(9H-thioxanthen-9-yl)-1,3-dioxolane (PubChem CID 11587116) has the molecular formula C16H14O2S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(9H-thioxanthen-9-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(9H-thioxanthen-9-yl)-1,3-dioxolane
PubChem CID11587116
Molecular FormulaC16H14O2S
Molecular Weight270.35 g/mol
Exact Mass270.07
IUPAC Name2-(9H-thioxanthen-9-yl)-1,3-dioxolane
SMILESc1ccc2c(c1)Sc1ccccc1C2C1OCCO1
InChIInChI=1S/C16H14O2S/c1-3-7-13-11(5-1)15(16-17-9-10-18-16)12-6-2-4-8-14(12)19-13/h1-8,15-16H,9-10H2
InChIKeyWCKZSJCWWWNRSF-UHFFFAOYSA-N
XLogP3.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(9H-thioxanthen-9-yl)-1,3-dioxolane?
The IUPAC name of 2-(9H-thioxanthen-9-yl)-1,3-dioxolane (CID 11587116) is 2-(9H-thioxanthen-9-yl)-1,3-dioxolane.
What is the SMILES notation for 2-(9H-thioxanthen-9-yl)-1,3-dioxolane?
The canonical SMILES for 2-(9H-thioxanthen-9-yl)-1,3-dioxolane is c1ccc2c(c1)Sc1ccccc1C2C1OCCO1.
What is the InChIKey of 2-(9H-thioxanthen-9-yl)-1,3-dioxolane?
The InChIKey is WCKZSJCWWWNRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2S/c1-3-7-13-11(5-1)15(16-17-9-10-18-16)12-6-2-4-8-14(12)19-13/h1-8,15-16H,9-10H2.
What are the key properties of 2-(9H-thioxanthen-9-yl)-1,3-dioxolane?
2-(9H-thioxanthen-9-yl)-1,3-dioxolane has a molecular weight of 270.35 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-thioxanthen-9-yl)-1,3-dioxolane is sourced from PubChem (CID 11587116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).