Tibenelast

• Catalog Number: ACM97852727
• Product Name: Tibenelast
• CAS: 97852-72-7
• Category: Heterocyclic Organic Compound
• Synonyms: tibenelast;5,6-Diethoxybenzo[b]thiophene-2-carboxylic acid;LY-186655
• IUPAC Name: 5,6-diethoxy-1-benzothiophene-2-carboxylic acid
• Molecular Weight: 266.316
• Molecular Formula: C₁₃H₁₄O₄S
• Canonical SMILES: CCOC1=C(C=C2C(=C1)C=C(S2)C(=O)O)OCC
• InChI Key: PDUXMHXBBXXJFQ-UHFFFAOYSA-N
• Boiling Point: 440.8ºC at 760 mmHg
• Flash Point: 220.4ºC
• Density: 1.289g/cm³
• Exact Mass: 266.06100
• H-Bond Acceptor: 5
• H-Bond Donor: 1

Custom Q&A

What is the PubChem CID of Tibenelast?

The PubChem CID of Tibenelast is 59913.

What is the molecular formula of Tibenelast?

The molecular formula of Tibenelast is C13H14O4S.

What are the synonyms of Tibenelast?

The synonyms of Tibenelast are Tibenelast 97852-72-7, Tibenelast [INN], 5,6-diethoxy-1-benzothiophene-2-carboxylic acid, NSC-108930, and more.

What is the molecular weight of Tibenelast?

The molecular weight of Tibenelast is 266.31 g/mol.

When was Tibenelast created?

Tibenelast was created on March 26, 2005.

What is the IUPAC name of Tibenelast?

The IUPAC name of Tibenelast is 5,6-diethoxy-1-benzothiophene-2-carboxylic acid.

What is the InChI of Tibenelast?

The InChI of Tibenelast is InChI=1S/C13H14O4S/c1-3-16-9-5-8-6-12(13(14)15)18-11(8)7-10(9)17-4-2/h5-7H,3-4H2,1-2H3,(H,14,15).

What is the InChIKey of Tibenelast?

The InChIKey of Tibenelast is PDUXMHXBBXXJFQ-UHFFFAOYSA-N.

What is the Canonical SMILES of Tibenelast?

The Canonical SMILES of Tibenelast is CCOC1=C(C=C2C(=C1)C=C(S2)C(=O)OCC.

What is the UNII of Tibenelast?

The UNII of Tibenelast is H051V8LJ93.