3-(4-bromophenyl)sulfanyloxolane

C10H11BrOS — CID 77406303

IUPAC3-(4-bromophenyl)sulfanyloxolane
SMILESBrc1ccc(SC2CCOC2)cc1
InChIInChI=1S/C10H11BrOS/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10/h1-4,10H,5-7H2
InChIKeyKQMGBEUWIOVGIF-UHFFFAOYSA-N
MW259.17 g/mol
LogP3.33
Rot. Bonds2

About 3-(4-bromophenyl)sulfanyloxolane

3-(4-bromophenyl)sulfanyloxolane (PubChem CID 77406303) has the molecular formula C10H11BrOS and a molecular weight of 259.17 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfanyloxolane.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfanyloxolane
PubChem CID77406303
Molecular FormulaC10H11BrOS
Molecular Weight259.17 g/mol
Exact Mass257.97
IUPAC Name3-(4-bromophenyl)sulfanyloxolane
SMILESBrc1ccc(SC2CCOC2)cc1
InChIInChI=1S/C10H11BrOS/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10/h1-4,10H,5-7H2
InChIKeyKQMGBEUWIOVGIF-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.17
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfanyloxolane?
The IUPAC name of 3-(4-bromophenyl)sulfanyloxolane (CID 77406303) is 3-(4-bromophenyl)sulfanyloxolane.
What is the SMILES notation for 3-(4-bromophenyl)sulfanyloxolane?
The canonical SMILES for 3-(4-bromophenyl)sulfanyloxolane is Brc1ccc(SC2CCOC2)cc1.
What is the InChIKey of 3-(4-bromophenyl)sulfanyloxolane?
The InChIKey is KQMGBEUWIOVGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrOS/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10/h1-4,10H,5-7H2.
What are the key properties of 3-(4-bromophenyl)sulfanyloxolane?
3-(4-bromophenyl)sulfanyloxolane has a molecular weight of 259.17 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfanyloxolane is sourced from PubChem (CID 77406303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).