2,3-bis(bromomethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

C8H8Br2O2S — CID 20767480

IUPAC2,3-bis(bromomethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESBrCC1Oc2cscc2OC1CBr
InChIInChI=1S/C8H8Br2O2S/c9-1-5-6(2-10)12-8-4-13-3-7(8)11-5/h3-6H,1-2H2
InChIKeyUQKRUSMNTPHDMZ-UHFFFAOYSA-N
MW328.03 g/mol
LogP3.05
Rot. Bonds2

About 2,3-bis(bromomethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

2,3-bis(bromomethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 20767480) has the molecular formula C8H8Br2O2S and a molecular weight of 328.03 g/mol. Its IUPAC name is 2,3-bis(bromomethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name2,3-bis(bromomethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID20767480
Molecular FormulaC8H8Br2O2S
Molecular Weight328.03 g/mol
Exact Mass325.86
IUPAC Name2,3-bis(bromomethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESBrCC1Oc2cscc2OC1CBr
InChIInChI=1S/C8H8Br2O2S/c9-1-5-6(2-10)12-8-4-13-3-7(8)11-5/h3-6H,1-2H2
InChIKeyUQKRUSMNTPHDMZ-UHFFFAOYSA-N
XLogP3.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.03
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,3-bis(bromomethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine 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 2,3-bis(bromomethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 2,3-bis(bromomethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 20767480) is 2,3-bis(bromomethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 2,3-bis(bromomethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 2,3-bis(bromomethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is BrCC1Oc2cscc2OC1CBr.
What is the InChIKey of 2,3-bis(bromomethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is UQKRUSMNTPHDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2O2S/c9-1-5-6(2-10)12-8-4-13-3-7(8)11-5/h3-6H,1-2H2.
What are the key properties of 2,3-bis(bromomethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
2,3-bis(bromomethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 328.03 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(bromomethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 20767480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).