3-Methyl-2-thiophenecarboxaldehyde
TL;DR: 3-Methyl-2-thiophenecarboxaldehyde (CAS 5834-16-2) is a chemical compound with molecular formula C6H6OS and molecular weight 126.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylthiophene-2-carbaldehyde
Also Known As: 3-Methyl-2-thiophenecarboxaldehyde, 3-Methylthiophene-2-carbaldehyde, 3-Methylthiophene-2-carboxaldehyde, 2-formyl-3-methylthiophene, 3-Methylthiophene-2-aldehyde
| Molecular Formula | C6H6OS |
|---|---|
| Molecular Weight | 126.01 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.01394 |
| Heavy Atoms | 8 |
| Complexity | 92.0 |
Chemical Identifiers
| CAS Number | 5834-16-2 |
|---|---|
| SMILES | CC1=C(SC=C1)C=O |
| InChIKey | BSQKBHXYEKVKMN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-2-thiophenecarboxaldehyde (CAS 5834-16-2), with molecular formula C6H6OS and molecular weight 126.01 g/mol. IUPAC: 3-methylthiophene-2-carbaldehyde.
Chemical Property Profile of 3-Methyl-2-thiophenecarboxaldehyde
Property Insights of 3-Methyl-2-thiophenecarboxaldehyde
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2-thiophenecarboxaldehyde. With a topological polar surface area (TPSA) of 45.3 Ų, 3-Methyl-2-thiophenecarboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-2-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-Methyl-2-thiophenecarboxaldehyde?
The CAS number of 3-Methyl-2-thiophenecarboxaldehyde is 5834-16-2.
What is the molecular formula of 3-Methyl-2-thiophenecarboxaldehyde?
The molecular formula of 3-Methyl-2-thiophenecarboxaldehyde is C6H6OS.
What is the molecular weight of 3-Methyl-2-thiophenecarboxaldehyde?
The molecular weight of 3-Methyl-2-thiophenecarboxaldehyde is 126.01 g/mol.
Where can I buy 3-Methyl-2-thiophenecarboxaldehyde?
You can request a quote for 3-Methyl-2-thiophenecarboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2-thiophenecarboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-thiophenecarboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.