thieno[2,3-f][1,3]benzodioxole-6-carboxylic acid

C10H6O4S — CID 10922084

IUPACthieno[2,3-f][1,3]benzodioxole-6-carboxylic acid
SMILESO=C(O)c1cc2cc3c(cc2s1)OCO3
InChIInChI=1S/C10H6O4S/c11-10(12)9-2-5-1-6-7(14-4-13-6)3-8(5)15-9/h1-3H,4H2,(H,11,12)
InChIKeyDDYQAKGAKIASSJ-UHFFFAOYSA-N
MW222.22 g/mol
LogP2.33
Rot. Bonds1

About thieno[2,3-f][1,3]benzodioxole-6-carboxylic acid

thieno[2,3-f][1,3]benzodioxole-6-carboxylic acid (PubChem CID 10922084) has the molecular formula C10H6O4S and a molecular weight of 222.22 g/mol. Its IUPAC name is thieno[2,3-f][1,3]benzodioxole-6-carboxylic acid.

Molecular Properties

Compound Namethieno[2,3-f][1,3]benzodioxole-6-carboxylic acid
PubChem CID10922084
Molecular FormulaC10H6O4S
Molecular Weight222.22 g/mol
Exact Mass222.00
IUPAC Namethieno[2,3-f][1,3]benzodioxole-6-carboxylic acid
SMILESO=C(O)c1cc2cc3c(cc2s1)OCO3
InChIInChI=1S/C10H6O4S/c11-10(12)9-2-5-1-6-7(14-4-13-6)3-8(5)15-9/h1-3H,4H2,(H,11,12)
InChIKeyDDYQAKGAKIASSJ-UHFFFAOYSA-N
XLogP2.33
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of thieno[2,3-f][1,3]benzodioxole-6-carboxylic acid?
The IUPAC name of thieno[2,3-f][1,3]benzodioxole-6-carboxylic acid (CID 10922084) is thieno[2,3-f][1,3]benzodioxole-6-carboxylic acid.
What is the SMILES notation for thieno[2,3-f][1,3]benzodioxole-6-carboxylic acid?
The canonical SMILES for thieno[2,3-f][1,3]benzodioxole-6-carboxylic acid is O=C(O)c1cc2cc3c(cc2s1)OCO3.
What is the InChIKey of thieno[2,3-f][1,3]benzodioxole-6-carboxylic acid?
The InChIKey is DDYQAKGAKIASSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O4S/c11-10(12)9-2-5-1-6-7(14-4-13-6)3-8(5)15-9/h1-3H,4H2,(H,11,12).
What are the key properties of thieno[2,3-f][1,3]benzodioxole-6-carboxylic acid?
thieno[2,3-f][1,3]benzodioxole-6-carboxylic acid has a molecular weight of 222.22 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[2,3-f][1,3]benzodioxole-6-carboxylic acid is sourced from PubChem (CID 10922084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).