4-Methyl-1,1,3-trioxothieno(3,2-d)(1,2)thiazole-5-carboxylic acid
TL;DR: 4-Methyl-1,1,3-trioxothieno(3,2-d)(1,2)thiazole-5-carboxylic acid (CAS 731802-17-8) is a chemical compound with molecular formula C7H5NO5S2 and molecular weight 246.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-1,1,3-trioxothieno[3,2-d][1,2]thiazole-5-carboxylic acid
Also Known As: 4-methyl-1,1,3-trioxo-2H,3H-1lambda6-thieno[3,2-d][1,2]thiazole-5-carboxylic acid, 4-methyl-1,1,3-trioxothieno[3,2-d][1,2]thiazole-5-carboxylic acid, 4-methyl-3-oxo-2,3-dihydrothieno[3,2-d]isothiazole-5-carboxylic acid 1,1-dioxide, 4-methyl-1,1,3-trioxo-thieno[3,2-d]isothiazole-5-carboxylic acid, 4-Methyl-1,1,3-trioxothieno(3,2-d)(1,2)thiazole-5-carboxylic acid
| Molecular Formula | C7H5NO5S2 |
|---|---|
| Molecular Weight | 246.96 g/mol |
| LogP | 0.18682 |
| Topological Polar Surface Area | 100.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.9609 |
| Heavy Atoms | 15 |
| Complexity | 582.76685 |
Chemical Identifiers
| CAS Number | 731802-17-8 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)NS2(=O)=O)C(=O)O |
Product Overview
4-Methyl-1,1,3-trioxothieno(3,2-d)(1,2)thiazole-5-carboxylic acid (CAS 731802-17-8), with molecular formula C7H5NO5S2 and molecular weight 246.96 g/mol. IUPAC: 4-methyl-1,1,3-trioxothieno[3,2-d][1,2]thiazole-5-carboxylic acid.
Chemical Property Profile of 4-Methyl-1,1,3-trioxothieno(3,2-d)(1,2)thiazole-5-carboxylic acid
Property Insights of 4-Methyl-1,1,3-trioxothieno(3,2-d)(1,2)thiazole-5-carboxylic acid
The XLogP value of 0.18682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-1,1,3-trioxothieno(3,2-d)(1,2)thiazole-5-carboxylic acid. The TPSA of 100.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-1,1,3-trioxothieno(3,2-d)(1,2)thiazole-5-carboxylic acid. Following Lipinski's Rule of Five, 4-Methyl-1,1,3-trioxothieno(3,2-d)(1,2)thiazole-5-carboxylic acid has 2 hydrogen bond donor(s) and 5 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-Methyl-1,1,3-trioxothieno(3,2-d)(1,2)thiazole-5-carboxylic acid?
The CAS number of 4-Methyl-1,1,3-trioxothieno(3,2-d)(1,2)thiazole-5-carboxylic acid is 731802-17-8.
What is the molecular formula of 4-Methyl-1,1,3-trioxothieno(3,2-d)(1,2)thiazole-5-carboxylic acid?
The molecular formula of 4-Methyl-1,1,3-trioxothieno(3,2-d)(1,2)thiazole-5-carboxylic acid is C7H5NO5S2.
What is the molecular weight of 4-Methyl-1,1,3-trioxothieno(3,2-d)(1,2)thiazole-5-carboxylic acid?
The molecular weight of 4-Methyl-1,1,3-trioxothieno(3,2-d)(1,2)thiazole-5-carboxylic acid is 246.96 g/mol.
Where can I buy 4-Methyl-1,1,3-trioxothieno(3,2-d)(1,2)thiazole-5-carboxylic acid?
You can request a quote for 4-Methyl-1,1,3-trioxothieno(3,2-d)(1,2)thiazole-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 4-Methyl-1,1,3-trioxothieno(3,2-d)(1,2)thiazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-1,1,3-trioxothieno(3,2-d)(1,2)thiazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.