6-methyl-3-thiophen-3-ylthieno[3,2-b]thiophene-5-carboxylic acid

C12H8O2S3 — CID 70692386

IUPAC6-methyl-3-thiophen-3-ylthieno[3,2-b]thiophene-5-carboxylic acid
SMILESCc1c(C(=O)O)sc2c(-c3ccsc3)csc12
InChIInChI=1S/C12H8O2S3/c1-6-9-11(17-10(6)12(13)14)8(5-16-9)7-2-3-15-4-7/h2-5H,1H3,(H,13,14)
InChIKeyZNKZRVBUGFAHCG-UHFFFAOYSA-N
MW280.39 g/mol
LogP4.70
Rot. Bonds2

About 6-methyl-3-thiophen-3-ylthieno[3,2-b]thiophene-5-carboxylic acid

6-methyl-3-thiophen-3-ylthieno[3,2-b]thiophene-5-carboxylic acid (PubChem CID 70692386) has the molecular formula C12H8O2S3 and a molecular weight of 280.39 g/mol. Its IUPAC name is 6-methyl-3-thiophen-3-ylthieno[3,2-b]thiophene-5-carboxylic acid.

Molecular Properties

Compound Name6-methyl-3-thiophen-3-ylthieno[3,2-b]thiophene-5-carboxylic acid
PubChem CID70692386
Molecular FormulaC12H8O2S3
Molecular Weight280.39 g/mol
Exact Mass279.97
IUPAC Name6-methyl-3-thiophen-3-ylthieno[3,2-b]thiophene-5-carboxylic acid
SMILESCc1c(C(=O)O)sc2c(-c3ccsc3)csc12
InChIInChI=1S/C12H8O2S3/c1-6-9-11(17-10(6)12(13)14)8(5-16-9)7-2-3-15-4-7/h2-5H,1H3,(H,13,14)
InChIKeyZNKZRVBUGFAHCG-UHFFFAOYSA-N
XLogP4.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-thiophen-3-ylthieno[3,2-b]thiophene-5-carboxylic acid?
The IUPAC name of 6-methyl-3-thiophen-3-ylthieno[3,2-b]thiophene-5-carboxylic acid (CID 70692386) is 6-methyl-3-thiophen-3-ylthieno[3,2-b]thiophene-5-carboxylic acid.
What is the SMILES notation for 6-methyl-3-thiophen-3-ylthieno[3,2-b]thiophene-5-carboxylic acid?
The canonical SMILES for 6-methyl-3-thiophen-3-ylthieno[3,2-b]thiophene-5-carboxylic acid is Cc1c(C(=O)O)sc2c(-c3ccsc3)csc12.
What is the InChIKey of 6-methyl-3-thiophen-3-ylthieno[3,2-b]thiophene-5-carboxylic acid?
The InChIKey is ZNKZRVBUGFAHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O2S3/c1-6-9-11(17-10(6)12(13)14)8(5-16-9)7-2-3-15-4-7/h2-5H,1H3,(H,13,14).
What are the key properties of 6-methyl-3-thiophen-3-ylthieno[3,2-b]thiophene-5-carboxylic acid?
6-methyl-3-thiophen-3-ylthieno[3,2-b]thiophene-5-carboxylic acid has a molecular weight of 280.39 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-thiophen-3-ylthieno[3,2-b]thiophene-5-carboxylic acid is sourced from PubChem (CID 70692386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).