Bis(methylsulfanyl)-1,2-thiazole-4-carboxylic acid
TL;DR: Bis(methylsulfanyl)-1,2-thiazole-4-carboxylic acid (CAS 4886-15-1) is a chemical compound with molecular formula C6H7NO2S3 and molecular weight 220.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxylic acid
Also Known As: 3,5-Bis-methylsulfanyl-isothiazole-4-carboxylic acid, Maybridge3_006059, 3,5-Bis(methylthio)isothiazole-4-carboxylic acid, bis(methylsulfanyl)-1,2-thiazole-4-carboxylic acid, 3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxylic acid
| Molecular Formula | C6H7NO2S3 |
|---|---|
| Molecular Weight | 220.96 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.9639 |
| Heavy Atoms | 12 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 4886-15-1 |
|---|---|
| SMILES | CSC1=C(C(=NS1)SC)C(=O)O |
| InChIKey | IQFPLSISGDGBMJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(methylsulfanyl)-1,2-thiazole-4-carboxylic acid (CAS 4886-15-1), with molecular formula C6H7NO2S3 and molecular weight 220.96 g/mol. IUPAC: 3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxylic acid.
Chemical Property Profile of Bis(methylsulfanyl)-1,2-thiazole-4-carboxylic acid
Property Insights of Bis(methylsulfanyl)-1,2-thiazole-4-carboxylic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(methylsulfanyl)-1,2-thiazole-4-carboxylic acid. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(methylsulfanyl)-1,2-thiazole-4-carboxylic acid. Following Lipinski's Rule of Five, Bis(methylsulfanyl)-1,2-thiazole-4-carboxylic acid has 1 hydrogen bond donor(s) and 6 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 Bis(methylsulfanyl)-1,2-thiazole-4-carboxylic acid?
The CAS number of Bis(methylsulfanyl)-1,2-thiazole-4-carboxylic acid is 4886-15-1.
What is the molecular formula of Bis(methylsulfanyl)-1,2-thiazole-4-carboxylic acid?
The molecular formula of Bis(methylsulfanyl)-1,2-thiazole-4-carboxylic acid is C6H7NO2S3.
What is the molecular weight of Bis(methylsulfanyl)-1,2-thiazole-4-carboxylic acid?
The molecular weight of Bis(methylsulfanyl)-1,2-thiazole-4-carboxylic acid is 220.96 g/mol.
Where can I buy Bis(methylsulfanyl)-1,2-thiazole-4-carboxylic acid?
You can request a quote for Bis(methylsulfanyl)-1,2-thiazole-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(methylsulfanyl)-1,2-thiazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Bis(methylsulfanyl)-1,2-thiazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.