3-cyclopropyl-6-methylthieno[3,2-b]thiophene-5-carboxylic acid

C11H10O2S2 — CID 70683939

IUPAC3-cyclopropyl-6-methylthieno[3,2-b]thiophene-5-carboxylic acid
SMILESCc1c(C(=O)O)sc2c(C3CC3)csc12
InChIInChI=1S/C11H10O2S2/c1-5-8-10(15-9(5)11(12)13)7(4-14-8)6-2-3-6/h4,6H,2-3H2,1H3,(H,12,13)
InChIKeyQQIFSDPSOLEYPN-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.85
Rot. Bonds2

About 3-cyclopropyl-6-methylthieno[3,2-b]thiophene-5-carboxylic acid

3-cyclopropyl-6-methylthieno[3,2-b]thiophene-5-carboxylic acid (PubChem CID 70683939) has the molecular formula C11H10O2S2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-cyclopropyl-6-methylthieno[3,2-b]thiophene-5-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-6-methylthieno[3,2-b]thiophene-5-carboxylic acid
PubChem CID70683939
Molecular FormulaC11H10O2S2
Molecular Weight238.33 g/mol
Exact Mass238.01
IUPAC Name3-cyclopropyl-6-methylthieno[3,2-b]thiophene-5-carboxylic acid
SMILESCc1c(C(=O)O)sc2c(C3CC3)csc12
InChIInChI=1S/C11H10O2S2/c1-5-8-10(15-9(5)11(12)13)7(4-14-8)6-2-3-6/h4,6H,2-3H2,1H3,(H,12,13)
InChIKeyQQIFSDPSOLEYPN-UHFFFAOYSA-N
XLogP3.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-methylthieno[3,2-b]thiophene-5-carboxylic acid?
The IUPAC name of 3-cyclopropyl-6-methylthieno[3,2-b]thiophene-5-carboxylic acid (CID 70683939) is 3-cyclopropyl-6-methylthieno[3,2-b]thiophene-5-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-6-methylthieno[3,2-b]thiophene-5-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-6-methylthieno[3,2-b]thiophene-5-carboxylic acid is Cc1c(C(=O)O)sc2c(C3CC3)csc12.
What is the InChIKey of 3-cyclopropyl-6-methylthieno[3,2-b]thiophene-5-carboxylic acid?
The InChIKey is QQIFSDPSOLEYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2S2/c1-5-8-10(15-9(5)11(12)13)7(4-14-8)6-2-3-6/h4,6H,2-3H2,1H3,(H,12,13).
What are the key properties of 3-cyclopropyl-6-methylthieno[3,2-b]thiophene-5-carboxylic acid?
3-cyclopropyl-6-methylthieno[3,2-b]thiophene-5-carboxylic acid has a molecular weight of 238.33 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-methylthieno[3,2-b]thiophene-5-carboxylic acid is sourced from PubChem (CID 70683939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).