4-Isothiazolecarboxamide
TL;DR: 4-Isothiazolecarboxamide (CAS 24340-75-8) is a chemical compound with molecular formula C4H4N2OS and molecular weight 128.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-thiazole-4-carboxamide
Also Known As: 4-Isothiazolecarboxamide, 1,2-thiazole-4-carboxamide, isothiazole-4-carboxamide, RefChem:293669
| Molecular Formula | C4H4N2OS |
|---|---|
| Molecular Weight | 128.00 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 128.00444 |
| Heavy Atoms | 8 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 24340-75-8 |
|---|---|
| SMILES | C1=C(C=NS1)C(=O)N |
| InChIKey | BEPMYBTTZSNHPS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Isothiazolecarboxamide (CAS 24340-75-8), with molecular formula C4H4N2OS and molecular weight 128.00 g/mol. IUPAC: 1,2-thiazole-4-carboxamide.
Chemical Property Profile of 4-Isothiazolecarboxamide
Property Insights of 4-Isothiazolecarboxamide
The XLogP value of -0.1 indicates that 4-Isothiazolecarboxamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Isothiazolecarboxamide. Following Lipinski's Rule of Five, 4-Isothiazolecarboxamide has 1 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 4-Isothiazolecarboxamide?
The CAS number of 4-Isothiazolecarboxamide is 24340-75-8.
What is the molecular formula of 4-Isothiazolecarboxamide?
The molecular formula of 4-Isothiazolecarboxamide is C4H4N2OS.
What is the molecular weight of 4-Isothiazolecarboxamide?
The molecular weight of 4-Isothiazolecarboxamide is 128.00 g/mol.
Where can I buy 4-Isothiazolecarboxamide?
You can request a quote for 4-Isothiazolecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isothiazolecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Isothiazolecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.