4-bromo-2-(methylsulfinylmethyl)oxolane

C6H11BrO2S — CID 150923302

IUPAC4-bromo-2-(methylsulfinylmethyl)oxolane
SMILESCS(=O)CC1CC(Br)CO1
InChIInChI=1S/C6H11BrO2S/c1-10(8)4-6-2-5(7)3-9-6/h5-6H,2-4H2,1H3
InChIKeyLEMJAKIIRIRJSK-UHFFFAOYSA-N
MW227.12 g/mol
LogP0.92
Rot. Bonds2

About 4-bromo-2-(methylsulfinylmethyl)oxolane

4-bromo-2-(methylsulfinylmethyl)oxolane (PubChem CID 150923302) has the molecular formula C6H11BrO2S and a molecular weight of 227.12 g/mol. Its IUPAC name is 4-bromo-2-(methylsulfinylmethyl)oxolane.

Molecular Properties

Compound Name4-bromo-2-(methylsulfinylmethyl)oxolane
PubChem CID150923302
Molecular FormulaC6H11BrO2S
Molecular Weight227.12 g/mol
Exact Mass225.97
IUPAC Name4-bromo-2-(methylsulfinylmethyl)oxolane
SMILESCS(=O)CC1CC(Br)CO1
InChIInChI=1S/C6H11BrO2S/c1-10(8)4-6-2-5(7)3-9-6/h5-6H,2-4H2,1H3
InChIKeyLEMJAKIIRIRJSK-UHFFFAOYSA-N
XLogP0.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.12
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(methylsulfinylmethyl)oxolane?
The IUPAC name of 4-bromo-2-(methylsulfinylmethyl)oxolane (CID 150923302) is 4-bromo-2-(methylsulfinylmethyl)oxolane.
What is the SMILES notation for 4-bromo-2-(methylsulfinylmethyl)oxolane?
The canonical SMILES for 4-bromo-2-(methylsulfinylmethyl)oxolane is CS(=O)CC1CC(Br)CO1.
What is the InChIKey of 4-bromo-2-(methylsulfinylmethyl)oxolane?
The InChIKey is LEMJAKIIRIRJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrO2S/c1-10(8)4-6-2-5(7)3-9-6/h5-6H,2-4H2,1H3.
What are the key properties of 4-bromo-2-(methylsulfinylmethyl)oxolane?
4-bromo-2-(methylsulfinylmethyl)oxolane has a molecular weight of 227.12 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(methylsulfinylmethyl)oxolane is sourced from PubChem (CID 150923302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).