1-Benzothiophene-2-carbaldehyde

1-Benzothiophene-2-carbaldehyde is a chemical compound registered under number CAS 3541-37-5, with the molecular formula C₉H₆OS, and a molar mass of 162.21 g/mol.

The molecule contains 17 atoms connected by 18 chemical bonds. The full systematic IUPAC name of this compound is 1-benzothiophene-2-carbaldehyde. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 2.7 (positive value, a lipophilic compound), polar surface area PSA = 45.3 Ų, 0 donors and 2 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Molecular formula	C9H6OS
Masa molowa	162.21 g/mol
IUPAC	1-benzothiophene-2-carbaldehyde
SMILES	C1=CC=C2C(=C1)C=C(S2)C=O
InChIKey	NXSVNPSWARVMAY-UHFFFAOYSA-N
logP (XLogP3)	2.7
PSA	45.3 Ų
HBD / HBA	0 / 2
PubChem CID	CID 736500 ↗

Signal word: Warning

H319 — Działa drażniąco na oczy

1-benzothiophene-2-carbaldehyde · RefChem:429639 · 627-681-2 · Benzo[b]thiophene-2-carboxaldehyde · 3541-37-5 · benzo[b]thiophene-2-carbaldehyde · MFCD01075041 · Thianaphthene-2-carboxaldehyde · CHEMBL3358202 · 2-Formylbenzo[b]thiophene · 2-benzothiophenecarbaldehyde · 2-formyl-benzo[b]thiophene · SCHEMBL56334 · SCHEMBL56884 · 2-benzothiophenecarboxaldehyde

• 📊 PubChem CID 736500 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność