3,5-Bis(methylsulfinyl)-1,2-thiazole-4-carbonitrile
TL;DR: 3,5-Bis(methylsulfinyl)-1,2-thiazole-4-carbonitrile (CAS 4886-20-8) is a chemical compound with molecular formula C6H6N2O2S3 and molecular weight 233.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis(methylsulfinyl)-1,2-thiazole-4-carbonitrile
Also Known As: 3,5-bis(methylsulfinyl)-1,2-thiazole-4-carbonitrile, 3,5-Bis(methylsulfinyl)thiazole-4-carbonitrile, 3,5-Di(methanesulfinyl)-1,2-thiazole-4-carbonitrile
| Molecular Formula | C6H6N2O2S3 |
|---|---|
| Molecular Weight | 233.96 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.95914 |
| Heavy Atoms | 13 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 4886-20-8 |
|---|---|
| SMILES | CS(=O)C1=C(C(=NS1)S(=O)C)C#N |
| InChIKey | CTONUQCYVPRSER-UHFFFAOYSA-N |
Product Overview
3,5-Bis(methylsulfinyl)-1,2-thiazole-4-carbonitrile (CAS 4886-20-8), with molecular formula C6H6N2O2S3 and molecular weight 233.96 g/mol. IUPAC: 3,5-bis(methylsulfinyl)-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 3,5-Bis(methylsulfinyl)-1,2-thiazole-4-carbonitrile
Property Insights of 3,5-Bis(methylsulfinyl)-1,2-thiazole-4-carbonitrile
The XLogP value of -0.4 indicates that 3,5-Bis(methylsulfinyl)-1,2-thiazole-4-carbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Bis(methylsulfinyl)-1,2-thiazole-4-carbonitrile. Following Lipinski's Rule of Five, 3,5-Bis(methylsulfinyl)-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(methylsulfinyl)-1,2-thiazole-4-carbonitrile?
The CAS number of 3,5-Bis(methylsulfinyl)-1,2-thiazole-4-carbonitrile is 4886-20-8.
What is the molecular formula of 3,5-Bis(methylsulfinyl)-1,2-thiazole-4-carbonitrile?
The molecular formula of 3,5-Bis(methylsulfinyl)-1,2-thiazole-4-carbonitrile is C6H6N2O2S3.
What is the molecular weight of 3,5-Bis(methylsulfinyl)-1,2-thiazole-4-carbonitrile?
The molecular weight of 3,5-Bis(methylsulfinyl)-1,2-thiazole-4-carbonitrile is 233.96 g/mol.
Where can I buy 3,5-Bis(methylsulfinyl)-1,2-thiazole-4-carbonitrile?
You can request a quote for 3,5-Bis(methylsulfinyl)-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(methylsulfinyl)-1,2-thiazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis(methylsulfinyl)-1,2-thiazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.