5-Methanesulfonyl-3-methoxy-1,2-thiazole-4-carbonitrile
TL;DR: 5-Methanesulfonyl-3-methoxy-1,2-thiazole-4-carbonitrile (CAS 157138-41-5) is a chemical compound with molecular formula C6H6N2O3S2 and molecular weight 217.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-5-methylsulfonyl-1,2-thiazole-4-carbonitrile
Also Known As: 5-methanesulfonyl-3-methoxy-1,2-thiazole-4-carbonitrile, 3-methoxy-4-cyano-5-methylsulfonylisothiazole, 3-methoxy-5-(methylsulfonyl)isothiazole-4-carbonitrile, 5-Methanesulfonyl-3-methoxy-isothiazole-4-carbonitrile, 3-methoxy-5-methylsulfonyl-1,2-thiazole-4-carbonitrile
| Molecular Formula | C6H6N2O3S2 |
|---|---|
| Molecular Weight | 217.98 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.98198 |
| Heavy Atoms | 13 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 157138-41-5 |
|---|---|
| SMILES | COC1=NSC(=C1C#N)S(=O)(=O)C |
| InChIKey | ZUERDQDGDWWSOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methanesulfonyl-3-methoxy-1,2-thiazole-4-carbonitrile (CAS 157138-41-5), with molecular formula C6H6N2O3S2 and molecular weight 217.98 g/mol. IUPAC: 3-methoxy-5-methylsulfonyl-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 5-Methanesulfonyl-3-methoxy-1,2-thiazole-4-carbonitrile
Property Insights of 5-Methanesulfonyl-3-methoxy-1,2-thiazole-4-carbonitrile
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methanesulfonyl-3-methoxy-1,2-thiazole-4-carbonitrile. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methanesulfonyl-3-methoxy-1,2-thiazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-Methanesulfonyl-3-methoxy-1,2-thiazole-4-carbonitrile has 0 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 5-Methanesulfonyl-3-methoxy-1,2-thiazole-4-carbonitrile?
The CAS number of 5-Methanesulfonyl-3-methoxy-1,2-thiazole-4-carbonitrile is 157138-41-5.
What is the molecular formula of 5-Methanesulfonyl-3-methoxy-1,2-thiazole-4-carbonitrile?
The molecular formula of 5-Methanesulfonyl-3-methoxy-1,2-thiazole-4-carbonitrile is C6H6N2O3S2.
What is the molecular weight of 5-Methanesulfonyl-3-methoxy-1,2-thiazole-4-carbonitrile?
The molecular weight of 5-Methanesulfonyl-3-methoxy-1,2-thiazole-4-carbonitrile is 217.98 g/mol.
Where can I buy 5-Methanesulfonyl-3-methoxy-1,2-thiazole-4-carbonitrile?
You can request a quote for 5-Methanesulfonyl-3-methoxy-1,2-thiazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methanesulfonyl-3-methoxy-1,2-thiazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Methanesulfonyl-3-methoxy-1,2-thiazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.