5-Isothiazolecarboxaldehyde
TL;DR: 5-Isothiazolecarboxaldehyde (CAS 5242-57-9) is a chemical compound with molecular formula C4H3NOS and molecular weight 112.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-thiazole-5-carbaldehyde
Also Known As: ISOTHIAZOLE-5-CARBALDEHYDE, 5-Isothiazolecarboxaldehyde, 1,2-thiazole-5-carbaldehyde, 5-Formylisothiazole, Isothiazole-5-carboxyaldehyde
| Molecular Formula | C4H3NOS |
|---|---|
| Molecular Weight | 112.99 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 112.99354 |
| Heavy Atoms | 7 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 5242-57-9 |
|---|---|
| SMILES | C1=C(SN=C1)C=O |
| InChIKey | TVFJIXAFZXREJQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Isothiazolecarboxaldehyde (CAS 5242-57-9), with molecular formula C4H3NOS and molecular weight 112.99 g/mol. IUPAC: 1,2-thiazole-5-carbaldehyde.
Chemical Property Profile of 5-Isothiazolecarboxaldehyde
Property Insights of 5-Isothiazolecarboxaldehyde
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Isothiazolecarboxaldehyde. With a topological polar surface area (TPSA) of 58.2 Ų, 5-Isothiazolecarboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Isothiazolecarboxaldehyde has 0 hydrogen bond donor(s) and 3 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 5-Isothiazolecarboxaldehyde?
The CAS number of 5-Isothiazolecarboxaldehyde is 5242-57-9.
What is the molecular formula of 5-Isothiazolecarboxaldehyde?
The molecular formula of 5-Isothiazolecarboxaldehyde is C4H3NOS.
What is the molecular weight of 5-Isothiazolecarboxaldehyde?
The molecular weight of 5-Isothiazolecarboxaldehyde is 112.99 g/mol.
Where can I buy 5-Isothiazolecarboxaldehyde?
You can request a quote for 5-Isothiazolecarboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Isothiazolecarboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-Isothiazolecarboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.