thieno[3,4-b][1,4]benzodioxine

C10H6O2S — CID 11159801

IUPACthieno[3,4-b][1,4]benzodioxine
SMILESc1ccc2c(c1)Oc1cscc1O2
InChIInChI=1S/C10H6O2S/c1-2-4-8-7(3-1)11-9-5-13-6-10(9)12-8/h1-6H
InChIKeyLMGSINXRBULTRV-UHFFFAOYSA-N
MW190.22 g/mol
LogP3.65
Rot. Bonds

About thieno[3,4-b][1,4]benzodioxine

thieno[3,4-b][1,4]benzodioxine (PubChem CID 11159801) has the molecular formula C10H6O2S and a molecular weight of 190.22 g/mol. Its IUPAC name is thieno[3,4-b][1,4]benzodioxine.

Molecular Properties

Compound Namethieno[3,4-b][1,4]benzodioxine
PubChem CID11159801
Molecular FormulaC10H6O2S
Molecular Weight190.22 g/mol
Exact Mass190.01
IUPAC Namethieno[3,4-b][1,4]benzodioxine
SMILESc1ccc2c(c1)Oc1cscc1O2
InChIInChI=1S/C10H6O2S/c1-2-4-8-7(3-1)11-9-5-13-6-10(9)12-8/h1-6H
InChIKeyLMGSINXRBULTRV-UHFFFAOYSA-N
XLogP3.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thieno[3,4-b][1,4]benzodioxine?
The IUPAC name of thieno[3,4-b][1,4]benzodioxine (CID 11159801) is thieno[3,4-b][1,4]benzodioxine.
What is the SMILES notation for thieno[3,4-b][1,4]benzodioxine?
The canonical SMILES for thieno[3,4-b][1,4]benzodioxine is c1ccc2c(c1)Oc1cscc1O2.
What is the InChIKey of thieno[3,4-b][1,4]benzodioxine?
The InChIKey is LMGSINXRBULTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O2S/c1-2-4-8-7(3-1)11-9-5-13-6-10(9)12-8/h1-6H.
What are the key properties of thieno[3,4-b][1,4]benzodioxine?
thieno[3,4-b][1,4]benzodioxine has a molecular weight of 190.22 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[3,4-b][1,4]benzodioxine is sourced from PubChem (CID 11159801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).