2-[2-(2-bromophenyl)sulfanylethyl]-1,3-dioxolane

C11H13BrO2S — CID 165440811

IUPAC2-[2-(2-bromophenyl)sulfanylethyl]-1,3-dioxolane
SMILESBrc1ccccc1SCCC1OCCO1
InChIInChI=1S/C11H13BrO2S/c12-9-3-1-2-4-10(9)15-8-5-11-13-6-7-14-11/h1-4,11H,5-8H2
InChIKeyMGDBOGIQYRTURS-UHFFFAOYSA-N
MW289.19 g/mol
LogP3.30
Rot. Bonds4

About 2-[2-(2-bromophenyl)sulfanylethyl]-1,3-dioxolane

2-[2-(2-bromophenyl)sulfanylethyl]-1,3-dioxolane (PubChem CID 165440811) has the molecular formula C11H13BrO2S and a molecular weight of 289.19 g/mol. Its IUPAC name is 2-[2-(2-bromophenyl)sulfanylethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-(2-bromophenyl)sulfanylethyl]-1,3-dioxolane
PubChem CID165440811
Molecular FormulaC11H13BrO2S
Molecular Weight289.19 g/mol
Exact Mass287.98
IUPAC Name2-[2-(2-bromophenyl)sulfanylethyl]-1,3-dioxolane
SMILESBrc1ccccc1SCCC1OCCO1
InChIInChI=1S/C11H13BrO2S/c12-9-3-1-2-4-10(9)15-8-5-11-13-6-7-14-11/h1-4,11H,5-8H2
InChIKeyMGDBOGIQYRTURS-UHFFFAOYSA-N
XLogP3.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2-bromophenyl)sulfanylethyl]-1,3-dioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromophenyl)sulfanylethyl]-1,3-dioxolane?
The IUPAC name of 2-[2-(2-bromophenyl)sulfanylethyl]-1,3-dioxolane (CID 165440811) is 2-[2-(2-bromophenyl)sulfanylethyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-(2-bromophenyl)sulfanylethyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-(2-bromophenyl)sulfanylethyl]-1,3-dioxolane is Brc1ccccc1SCCC1OCCO1.
What is the InChIKey of 2-[2-(2-bromophenyl)sulfanylethyl]-1,3-dioxolane?
The InChIKey is MGDBOGIQYRTURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2S/c12-9-3-1-2-4-10(9)15-8-5-11-13-6-7-14-11/h1-4,11H,5-8H2.
What are the key properties of 2-[2-(2-bromophenyl)sulfanylethyl]-1,3-dioxolane?
2-[2-(2-bromophenyl)sulfanylethyl]-1,3-dioxolane has a molecular weight of 289.19 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromophenyl)sulfanylethyl]-1,3-dioxolane is sourced from PubChem (CID 165440811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).