3-Thiophenecarboxaldehyde
TL;DR: 3-Thiophenecarboxaldehyde (CAS 498-62-4) is a chemical compound with molecular formula C5H4OS and molecular weight 112.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thiophene-3-carbaldehyde
Also Known As: 3-Thiophenecarboxaldehyde, Thiophene-3-carbaldehyde, 3-Formylthiophene, Thiophene-3-carboxaldehyde, 3-Thiophenaldehyde
| Molecular Formula | C5H4OS |
|---|---|
| Molecular Weight | 112.00 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 111.99828 |
| Heavy Atoms | 7 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 498-62-4 |
|---|---|
| SMILES | C1=CSC=C1C=O |
| InChIKey | RBIGKSZIQCTIJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Thiophenecarboxaldehyde (CAS 498-62-4), with molecular formula C5H4OS and molecular weight 112.00 g/mol. IUPAC: thiophene-3-carbaldehyde.
Chemical Property Profile of 3-Thiophenecarboxaldehyde
Property Insights of 3-Thiophenecarboxaldehyde
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Thiophenecarboxaldehyde. With a topological polar surface area (TPSA) of 45.3 Ų, 3-Thiophenecarboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Thiophenecarboxaldehyde has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Thiophenecarboxaldehyde?
The CAS number of 3-Thiophenecarboxaldehyde is 498-62-4.
What is the molecular formula of 3-Thiophenecarboxaldehyde?
The molecular formula of 3-Thiophenecarboxaldehyde is C5H4OS.
What is the molecular weight of 3-Thiophenecarboxaldehyde?
The molecular weight of 3-Thiophenecarboxaldehyde is 112.00 g/mol.
Where can I buy 3-Thiophenecarboxaldehyde?
You can request a quote for 3-Thiophenecarboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Thiophenecarboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-Thiophenecarboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.