3,5-Bis(methylsulfonyl)-1,2-thiazole-4-carbonitrile
TL;DR: 3,5-Bis(methylsulfonyl)-1,2-thiazole-4-carbonitrile (CAS 4886-22-0) is a chemical compound with molecular formula C6H6N2O4S3 and molecular weight 265.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis(methylsulfonyl)-1,2-thiazole-4-carbonitrile
Also Known As: 3,5-bis(methylsulfonyl)-1,2-thiazole-4-carbonitrile, dimethanesulfonyl-1,2-thiazole-4-carbonitrile, 3,5-Bis(methylsulfonyl)thiazole-4-carbonitrile, 3,5-bis(methylsulfonyl)-4-isothiazolecarbonitrile, 3,5-bis(methylsulfonyl)isothiazole-4-carbonitrile
| Molecular Formula | C6H6N2O4S3 |
|---|---|
| Molecular Weight | 265.95 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.94897 |
| Heavy Atoms | 15 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 4886-22-0 |
|---|---|
| SMILES | CS(=O)(=O)C1=C(C(=NS1)S(=O)(=O)C)C#N |
| InChIKey | RIGYMANZYXBOTR-UHFFFAOYSA-N |
Product Overview
3,5-Bis(methylsulfonyl)-1,2-thiazole-4-carbonitrile (CAS 4886-22-0), with molecular formula C6H6N2O4S3 and molecular weight 265.95 g/mol. IUPAC: 3,5-bis(methylsulfonyl)-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 3,5-Bis(methylsulfonyl)-1,2-thiazole-4-carbonitrile
Property Insights of 3,5-Bis(methylsulfonyl)-1,2-thiazole-4-carbonitrile
The XLogP value of -0.2 indicates that 3,5-Bis(methylsulfonyl)-1,2-thiazole-4-carbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 150.0 Ų indicates high polarity, suggesting 3,5-Bis(methylsulfonyl)-1,2-thiazole-4-carbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,5-Bis(methylsulfonyl)-1,2-thiazole-4-carbonitrile has 0 hydrogen bond donor(s) and 7 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 3,5-Bis(methylsulfonyl)-1,2-thiazole-4-carbonitrile?
The CAS number of 3,5-Bis(methylsulfonyl)-1,2-thiazole-4-carbonitrile is 4886-22-0.
What is the molecular formula of 3,5-Bis(methylsulfonyl)-1,2-thiazole-4-carbonitrile?
The molecular formula of 3,5-Bis(methylsulfonyl)-1,2-thiazole-4-carbonitrile is C6H6N2O4S3.
What is the molecular weight of 3,5-Bis(methylsulfonyl)-1,2-thiazole-4-carbonitrile?
The molecular weight of 3,5-Bis(methylsulfonyl)-1,2-thiazole-4-carbonitrile is 265.95 g/mol.
Where can I buy 3,5-Bis(methylsulfonyl)-1,2-thiazole-4-carbonitrile?
You can request a quote for 3,5-Bis(methylsulfonyl)-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 3,5-Bis(methylsulfonyl)-1,2-thiazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis(methylsulfonyl)-1,2-thiazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.