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

C7H7ClO2S — CID 24853615

IUPAC3-(chloromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESClCC1COc2cscc2O1
InChIInChI=1S/C7H7ClO2S/c8-1-5-2-9-6-3-11-4-7(6)10-5/h3-5H,1-2H2
InChIKeyUOXHKOVMJCKBOG-UHFFFAOYSA-N
MW190.65 g/mol
LogP2.13
Rot. Bonds1

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

3-(chloromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 24853615) has the molecular formula C7H7ClO2S and a molecular weight of 190.65 g/mol. Its IUPAC name is 3-(chloromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name3-(chloromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID24853615
Molecular FormulaC7H7ClO2S
Molecular Weight190.65 g/mol
Exact Mass189.99
IUPAC Name3-(chloromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESClCC1COc2cscc2O1
InChIInChI=1S/C7H7ClO2S/c8-1-5-2-9-6-3-11-4-7(6)10-5/h3-5H,1-2H2
InChIKeyUOXHKOVMJCKBOG-UHFFFAOYSA-N
XLogP2.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.65
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-(chloromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 3-(chloromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 24853615) is 3-(chloromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 3-(chloromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 3-(chloromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is ClCC1COc2cscc2O1.
What is the InChIKey of 3-(chloromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is UOXHKOVMJCKBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO2S/c8-1-5-2-9-6-3-11-4-7(6)10-5/h3-5H,1-2H2.
What are the key properties of 3-(chloromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
3-(chloromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 190.65 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 24853615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).