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

C8H5FO2S2 — CID 155769581

IUPAC5-fluoro-6-methylthieno[3,2-b]thiophene-2-carboxylic acid
SMILESCc1c(F)sc2cc(C(=O)O)sc12
InChIInChI=1S/C8H5FO2S2/c1-3-6-4(13-7(3)9)2-5(12-6)8(10)11/h2H,1H3,(H,10,11)
InChIKeyIAPKWAIFEVZDFU-UHFFFAOYSA-N
MW216.26 g/mol
LogP3.11
Rot. Bonds1

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

5-fluoro-6-methylthieno[3,2-b]thiophene-2-carboxylic acid (PubChem CID 155769581) has the molecular formula C8H5FO2S2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 5-fluoro-6-methylthieno[3,2-b]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-6-methylthieno[3,2-b]thiophene-2-carboxylic acid
PubChem CID155769581
Molecular FormulaC8H5FO2S2
Molecular Weight216.26 g/mol
Exact Mass215.97
IUPAC Name5-fluoro-6-methylthieno[3,2-b]thiophene-2-carboxylic acid
SMILESCc1c(F)sc2cc(C(=O)O)sc12
InChIInChI=1S/C8H5FO2S2/c1-3-6-4(13-7(3)9)2-5(12-6)8(10)11/h2H,1H3,(H,10,11)
InChIKeyIAPKWAIFEVZDFU-UHFFFAOYSA-N
XLogP3.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-6-methylthieno[3,2-b]thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-difluorothieno[3,2-b]thiophene-2-carboxylic acid
CID 155435323
5-chloro-6-fluorothieno[3,2-b]thiophene-2-carboxylic acid
CID 155445673
2-methylthieno[3,2-b]thiophene-5-carboxylic acid
CID 901435
7-fluoro-6-methyl-1-benzothiophene-2-carboxylic acid
CID 121413599
7-chloro-5-methyl-1-benzothiophene-2-carboxylic acid
CID 118444652
7-fluoro-4-hydroxy-1-benzothiophene-2-carboxylic acid
CID 130940959
6-fluoro-7-methoxy-1-benzothiophene-2-carboxylic acid
CID 67184797
thieno[2,3-f][1]benzothiole-2,6-dicarboxylic acid
CID 139034065
6-chloro-7-fluoro-1-benzothiophene-2-carboxylic acid
CID 121427356
4-bromo-7-fluoro-1-benzothiophene-2-carboxylic acid
CID 22474090
methanol;4-methylthieno[2,3-c]pyridine-2-carboxylic acid
CID 90848092
diethyl 3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4,10-dicarboxylate
CID 11290764

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methylthieno[3,2-b]thiophene-2-carboxylic acid?
The IUPAC name of 5-fluoro-6-methylthieno[3,2-b]thiophene-2-carboxylic acid (CID 155769581) is 5-fluoro-6-methylthieno[3,2-b]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-fluoro-6-methylthieno[3,2-b]thiophene-2-carboxylic acid?
The canonical SMILES for 5-fluoro-6-methylthieno[3,2-b]thiophene-2-carboxylic acid is Cc1c(F)sc2cc(C(=O)O)sc12.
What is the InChIKey of 5-fluoro-6-methylthieno[3,2-b]thiophene-2-carboxylic acid?
The InChIKey is IAPKWAIFEVZDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FO2S2/c1-3-6-4(13-7(3)9)2-5(12-6)8(10)11/h2H,1H3,(H,10,11).
What are the key properties of 5-fluoro-6-methylthieno[3,2-b]thiophene-2-carboxylic acid?
5-fluoro-6-methylthieno[3,2-b]thiophene-2-carboxylic acid has a molecular weight of 216.26 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methylthieno[3,2-b]thiophene-2-carboxylic acid is sourced from PubChem (CID 155769581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).