3,4-dimethylthieno[2,3-b]thiophene-2,5-dicarboxylic acid

C10H8O4S2 — CID 2778763

IUPAC3,4-dimethylthieno[2,3-b]thiophene-2,5-dicarboxylic acid
SMILESCc1c(C(=O)O)sc2sc(C(=O)O)c(C)c12
InChIInChI=1S/C10H8O4S2/c1-3-5-4(2)7(9(13)14)16-10(5)15-6(3)8(11)12/h1-2H3,(H,11,12)(H,13,14)
InChIKeyJARLNIWLMPUVAR-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.98
Rot. Bonds2

About 3,4-dimethylthieno[2,3-b]thiophene-2,5-dicarboxylic acid

3,4-dimethylthieno[2,3-b]thiophene-2,5-dicarboxylic acid (PubChem CID 2778763) has the molecular formula C10H8O4S2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3,4-dimethylthieno[2,3-b]thiophene-2,5-dicarboxylic acid.

Molecular Properties

Compound Name3,4-dimethylthieno[2,3-b]thiophene-2,5-dicarboxylic acid
PubChem CID2778763
Molecular FormulaC10H8O4S2
Molecular Weight256.30 g/mol
Exact Mass255.99
IUPAC Name3,4-dimethylthieno[2,3-b]thiophene-2,5-dicarboxylic acid
SMILESCc1c(C(=O)O)sc2sc(C(=O)O)c(C)c12
InChIInChI=1S/C10H8O4S2/c1-3-5-4(2)7(9(13)14)16-10(5)15-6(3)8(11)12/h1-2H3,(H,11,12)(H,13,14)
InChIKeyJARLNIWLMPUVAR-UHFFFAOYSA-N
XLogP2.98
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylthieno[2,3-b]thiophene-2,5-dicarboxylic acid?
The IUPAC name of 3,4-dimethylthieno[2,3-b]thiophene-2,5-dicarboxylic acid (CID 2778763) is 3,4-dimethylthieno[2,3-b]thiophene-2,5-dicarboxylic acid.
What is the SMILES notation for 3,4-dimethylthieno[2,3-b]thiophene-2,5-dicarboxylic acid?
The canonical SMILES for 3,4-dimethylthieno[2,3-b]thiophene-2,5-dicarboxylic acid is Cc1c(C(=O)O)sc2sc(C(=O)O)c(C)c12.
What is the InChIKey of 3,4-dimethylthieno[2,3-b]thiophene-2,5-dicarboxylic acid?
The InChIKey is JARLNIWLMPUVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4S2/c1-3-5-4(2)7(9(13)14)16-10(5)15-6(3)8(11)12/h1-2H3,(H,11,12)(H,13,14).
What are the key properties of 3,4-dimethylthieno[2,3-b]thiophene-2,5-dicarboxylic acid?
3,4-dimethylthieno[2,3-b]thiophene-2,5-dicarboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylthieno[2,3-b]thiophene-2,5-dicarboxylic acid is sourced from PubChem (CID 2778763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).