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

C8H6O2S2 — CID 901435

IUPAC2-methylthieno[3,2-b]thiophene-5-carboxylic acid
SMILESCc1cc2sc(C(=O)O)cc2s1
InChIInChI=1S/C8H6O2S2/c1-4-2-5-6(11-4)3-7(12-5)8(9)10/h2-3H,1H3,(H,9,10)
InChIKeyVOCYXBFIICKEKG-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.97
Rot. Bonds1

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

2-methylthieno[3,2-b]thiophene-5-carboxylic acid (PubChem CID 901435) has the molecular formula C8H6O2S2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-methylthieno[3,2-b]thiophene-5-carboxylic acid.

Molecular Properties

Compound Name2-methylthieno[3,2-b]thiophene-5-carboxylic acid
PubChem CID901435
Molecular FormulaC8H6O2S2
Molecular Weight198.27 g/mol
Exact Mass197.98
IUPAC Name2-methylthieno[3,2-b]thiophene-5-carboxylic acid
SMILESCc1cc2sc(C(=O)O)cc2s1
InChIInChI=1S/C8H6O2S2/c1-4-2-5-6(11-4)3-7(12-5)8(9)10/h2-3H,1H3,(H,9,10)
InChIKeyVOCYXBFIICKEKG-UHFFFAOYSA-N
XLogP2.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethylthieno[3,2-b]thiophene;ethane
CID 144533203
thieno[2,3-f][1]benzothiole-2,6-dicarboxylic acid
CID 139034065
5-methylthieno[2,3-c]pyridine-2-carboxylic acid
CID 118346730
6-methyl-1-benzothiophene-2-carboxylic acid
CID 12813850
5-fluoro-6-methylthieno[3,2-b]thiophene-2-carboxylic acid
CID 155769581
1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylic acid
CID 123465513
methanol;4-methylthieno[2,3-c]pyridine-2-carboxylic acid
CID 90848092
(1S,5R)-5-[(2-methylthieno[3,2-b]thiophene-5-carbonyl)amino]cyclohex-3-ene-1-carboxylic acid
CID 166272039
3,5-dimethylthiophene-2-carboxylic acid
CID 819558
5-fluoro-2-methylthieno[3,2-b]thiophene
CID 129149078
4-chloro-5-hydroxy-1-benzothiophene-2-carboxylic acid
CID 82391154
4-chloro-5-ethylthiophene-2-carboxylic acid
CID 83877602

Frequently Asked Questions

What is the IUPAC name of 2-methylthieno[3,2-b]thiophene-5-carboxylic acid?
The IUPAC name of 2-methylthieno[3,2-b]thiophene-5-carboxylic acid (CID 901435) is 2-methylthieno[3,2-b]thiophene-5-carboxylic acid.
What is the SMILES notation for 2-methylthieno[3,2-b]thiophene-5-carboxylic acid?
The canonical SMILES for 2-methylthieno[3,2-b]thiophene-5-carboxylic acid is Cc1cc2sc(C(=O)O)cc2s1.
What is the InChIKey of 2-methylthieno[3,2-b]thiophene-5-carboxylic acid?
The InChIKey is VOCYXBFIICKEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O2S2/c1-4-2-5-6(11-4)3-7(12-5)8(9)10/h2-3H,1H3,(H,9,10).
What are the key properties of 2-methylthieno[3,2-b]thiophene-5-carboxylic acid?
2-methylthieno[3,2-b]thiophene-5-carboxylic acid has a molecular weight of 198.27 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylthieno[3,2-b]thiophene-5-carboxylic acid is sourced from PubChem (CID 901435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).