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

C9H8O2S2 — CID 1211738

IUPAC2,4-dimethylthieno[2,3-b]thiophene-5-carboxylic acid
SMILESCc1cc2c(C)c(C(=O)O)sc2s1
InChIInChI=1S/C9H8O2S2/c1-4-3-6-5(2)7(8(10)11)13-9(6)12-4/h3H,1-2H3,(H,10,11)
InChIKeyTVXMJXUGCCPVNO-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.28
Rot. Bonds1

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

2,4-dimethylthieno[2,3-b]thiophene-5-carboxylic acid (PubChem CID 1211738) has the molecular formula C9H8O2S2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2,4-dimethylthieno[2,3-b]thiophene-5-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethylthieno[2,3-b]thiophene-5-carboxylic acid
PubChem CID1211738
Molecular FormulaC9H8O2S2
Molecular Weight212.29 g/mol
Exact Mass212.00
IUPAC Name2,4-dimethylthieno[2,3-b]thiophene-5-carboxylic acid
SMILESCc1cc2c(C)c(C(=O)O)sc2s1
InChIInChI=1S/C9H8O2S2/c1-4-3-6-5(2)7(8(10)11)13-9(6)12-4/h3H,1-2H3,(H,10,11)
InChIKeyTVXMJXUGCCPVNO-UHFFFAOYSA-N
XLogP3.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylthieno[2,3-b]thiophene-5-carboxylic acid?
The IUPAC name of 2,4-dimethylthieno[2,3-b]thiophene-5-carboxylic acid (CID 1211738) is 2,4-dimethylthieno[2,3-b]thiophene-5-carboxylic acid.
What is the SMILES notation for 2,4-dimethylthieno[2,3-b]thiophene-5-carboxylic acid?
The canonical SMILES for 2,4-dimethylthieno[2,3-b]thiophene-5-carboxylic acid is Cc1cc2c(C)c(C(=O)O)sc2s1.
What is the InChIKey of 2,4-dimethylthieno[2,3-b]thiophene-5-carboxylic acid?
The InChIKey is TVXMJXUGCCPVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2S2/c1-4-3-6-5(2)7(8(10)11)13-9(6)12-4/h3H,1-2H3,(H,10,11).
What are the key properties of 2,4-dimethylthieno[2,3-b]thiophene-5-carboxylic acid?
2,4-dimethylthieno[2,3-b]thiophene-5-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylthieno[2,3-b]thiophene-5-carboxylic acid is sourced from PubChem (CID 1211738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).