Benzo[b]thiophene-2-carboxaldehyde

• Catalog Number: ACM3541375
• Product Name: Benzo[b]thiophene-2-carboxaldehyde
• CAS: 3541-37-5
• Category: Thiophenes
• Synonyms: 2-Formylbenzo[b]thiophene;2-benzothiophenecarbaldehyde
• IUPAC Name: 1-benzothiophene-2-carbaldehyde
• Molecular Weight: 162.21g/mol
• Molecular Formula: C9H6OS
• Canonical SMILES: C1=CC=C2C(=C1)C=C(S2)C=O
• InChI: InChI=1S/C9H6OS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-6H
• InChI Key: NXSVNPSWARVMAY-UHFFFAOYSA-N
• Boiling Point: 135-136°C/8mmHg
• Melting Point: 30-32°C
• Flash Point: >110 °C
• Appearance: Brown Liquid
• Complexity: 158
• Covalently-Bonded Unit Count: 1
• Exact Mass: 162.013936g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 11
• Monoisotopic Mass: 162.013936g/mol
• Rotatable Bond Count: 1
• XLogP3: 2.7

Custom Q&A

What is the molecular formula of Benzo[b]thiophene-2-carboxaldehyde?

The molecular formula of Benzo[b]thiophene-2-carboxaldehyde is C9H6OS.

What is the molecular weight of Benzo[b]thiophene-2-carboxaldehyde?

The molecular weight of Benzo[b]thiophene-2-carboxaldehyde is 162.21 g/mol.

What is the IUPAC name of Benzo[b]thiophene-2-carboxaldehyde?

The IUPAC name of Benzo[b]thiophene-2-carboxaldehyde is 1-benzothiophene-2-carbaldehyde.

What is the InChI for Benzo[b]thiophene-2-carboxaldehyde?

The InChI for Benzo[b]thiophene-2-carboxaldehyde is InChI=1S/C9H6OS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-6H.

What is the InChIKey for Benzo[b]thiophene-2-carboxaldehyde?

The InChIKey for Benzo[b]thiophene-2-carboxaldehyde is NXSVNPSWARVMAY-UHFFFAOYSA-N.

What is the canonical SMILES for Benzo[b]thiophene-2-carboxaldehyde?

The canonical SMILES for Benzo[b]thiophene-2-carboxaldehyde is C1=CC=C2C(=C1)C=C(S2)C=O.

What is the CAS number of Benzo[b]thiophene-2-carboxaldehyde?

The CAS number of Benzo[b]thiophene-2-carboxaldehyde is 3541-37-5.

What is the European Community (EC) number of Benzo[b]thiophene-2-carboxaldehyde?

The European Community (EC) number of Benzo[b]thiophene-2-carboxaldehyde is 627-681-2.

What is the ChEMBL ID of Benzo[b]thiophene-2-carboxaldehyde?

The ChEMBL ID of Benzo[b]thiophene-2-carboxaldehyde is CHEMBL3358202.

Is Benzo[b]thiophene-2-carboxaldehyde a canonicalized compound?

Yes, Benzo[b]thiophene-2-carboxaldehyde is a canonicalized compound according to PubChem.