2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarbaldehyde

C8H6O4S — CID 3430937

IUPAC2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarbaldehyde
SMILESO=Cc1sc(C=O)c2c1OCCO2
InChIInChI=1S/C8H6O4S/c9-3-5-7-8(6(4-10)13-5)12-2-1-11-7/h3-4H,1-2H2
InChIKeyOYWUVHMKKSZDJH-UHFFFAOYSA-N
MW198.20 g/mol
LogP1.14
Rot. Bonds2

About 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarbaldehyde

2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarbaldehyde (PubChem CID 3430937) has the molecular formula C8H6O4S and a molecular weight of 198.20 g/mol. Its IUPAC name is 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarbaldehyde.

Molecular Properties

Compound Name2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarbaldehyde
PubChem CID3430937
Molecular FormulaC8H6O4S
Molecular Weight198.20 g/mol
Exact Mass198.00
IUPAC Name2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarbaldehyde
SMILESO=Cc1sc(C=O)c2c1OCCO2
InChIInChI=1S/C8H6O4S/c9-3-5-7-8(6(4-10)13-5)12-2-1-11-7/h3-4H,1-2H2
InChIKeyOYWUVHMKKSZDJH-UHFFFAOYSA-N
XLogP1.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarbaldehyde?
The IUPAC name of 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarbaldehyde (CID 3430937) is 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarbaldehyde.
What is the SMILES notation for 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarbaldehyde?
The canonical SMILES for 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarbaldehyde is O=Cc1sc(C=O)c2c1OCCO2.
What is the InChIKey of 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarbaldehyde?
The InChIKey is OYWUVHMKKSZDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4S/c9-3-5-7-8(6(4-10)13-5)12-2-1-11-7/h3-4H,1-2H2.
What are the key properties of 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarbaldehyde?
2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarbaldehyde has a molecular weight of 198.20 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarbaldehyde is sourced from PubChem (CID 3430937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).