5-Isothiazolecarboxaldehyde, oxime
TL;DR: 5-Isothiazolecarboxaldehyde, oxime (CAS 343268-21-3) is a chemical compound with molecular formula C4H4N2OS and molecular weight 128.00444 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1,2-thiazol-5-ylmethylidene)hydroxylamine
Also Known As: 5-Isothiazolecarboxaldehyde, oxime, N-[(1,2-Thiazol-5-yl)methylidene]hydroxylamine
Technical Specifications
| Molecular Formula | C4H4N2OS |
| Molecular Weight | 128.00444 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 73.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 128.00444 Da |
| Heavy Atoms | 8 |
| Complexity | 96.0 |
| SMILES | C1=C(SN=C1)C=NO |
| InChIKey | XXDZWPGCXQRRMD-UHFFFAOYSA-N |
Chemical Property Profile of 5-Isothiazolecarboxaldehyde, oxime
Property Insights of 5-Isothiazolecarboxaldehyde, oxime
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Isothiazolecarboxaldehyde, oxime. The TPSA of 73.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Isothiazolecarboxaldehyde, oxime. Following Lipinski's Rule of Five, 5-Isothiazolecarboxaldehyde, oxime has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Isothiazolecarboxaldehyde, oxime?
The CAS number of 5-Isothiazolecarboxaldehyde, oxime is 343268-21-3.
What is the molecular formula of 5-Isothiazolecarboxaldehyde, oxime?
The molecular formula of 5-Isothiazolecarboxaldehyde, oxime is C4H4N2OS.
What is the molecular weight of 5-Isothiazolecarboxaldehyde, oxime?
The molecular weight of 5-Isothiazolecarboxaldehyde, oxime is 128.00444 g/mol.
Where can I buy 5-Isothiazolecarboxaldehyde, oxime?
You can request a quote for 5-Isothiazolecarboxaldehyde, oxime directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Isothiazolecarboxaldehyde, oxime?
Yes, CoreyChem provides custom synthesis services for 5-Isothiazolecarboxaldehyde, oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.