Isothiazole-5-carboxylic acid
TL;DR: Isothiazole-5-carboxylic acid (CAS 10271-85-9) is a chemical compound with molecular formula C4H3NO2S and molecular weight 128.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-thiazole-5-carboxylic acid
Also Known As: Isothiazole-5-carboxylic acid, 5-isothiazolecarboxylic acid, 1,2-thiazole-5-carboxylic acid, 5-Isothiazolecarboxylicacid, Isothiazole-5-carboxylicacid
| Molecular Formula | C4H3NO2S |
|---|---|
| Molecular Weight | 128.99 g/mol |
| LogP | 0.8413 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 128.98845 |
| Heavy Atoms | 8 |
| Complexity | 181.92819 |
Chemical Identifiers
| CAS Number | 10271-85-9 |
|---|---|
| SMILES | C1=C(SN=C1)C(=O)O |
Product Overview
Isothiazole-5-carboxylic acid (CAS 10271-85-9), with molecular formula C4H3NO2S and molecular weight 128.99 g/mol. IUPAC: 1,2-thiazole-5-carboxylic acid.
Chemical Property Profile of Isothiazole-5-carboxylic acid
Property Insights of Isothiazole-5-carboxylic acid
The XLogP value of 0.8413 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isothiazole-5-carboxylic acid. With a topological polar surface area (TPSA) of 50.19 Ų, Isothiazole-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isothiazole-5-carboxylic acid 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 Isothiazole-5-carboxylic acid?
The CAS number of Isothiazole-5-carboxylic acid is 10271-85-9.
What is the molecular formula of Isothiazole-5-carboxylic acid?
The molecular formula of Isothiazole-5-carboxylic acid is C4H3NO2S.
What is the molecular weight of Isothiazole-5-carboxylic acid?
The molecular weight of Isothiazole-5-carboxylic acid is 128.99 g/mol.
Where can I buy Isothiazole-5-carboxylic acid?
You can request a quote for Isothiazole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isothiazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Isothiazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.