3,5-Bis(methylsulfanyl)-1,2-thiazole-4-carbonyl chloride
TL;DR: 3,5-Bis(methylsulfanyl)-1,2-thiazole-4-carbonyl chloride (CAS 4886-16-2) is a chemical compound with molecular formula C6H6ClNOS3 and molecular weight 238.93 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-carbonyl chloride
Also Known As: BIS(METHYLSULFANYL)-1,2-THIAZOLE-4-CARBONYL CHLORIDE, 3,5-Bis -4-isothiazolecarbonylchloride, 3,5-bis(methylsulfanyl)-1,2-thiazole-4-carbonyl chloride, 4-Isothiazolecarbonyl chloride, 3,5-bis(methylthio)-, 3,5-bis(methylthio)isothiazole-4-carbonyl chloride
| Molecular Formula | C6H6ClNOS3 |
|---|---|
| Molecular Weight | 238.93 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.93001 |
| Heavy Atoms | 12 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 4886-16-2 |
|---|---|
| SMILES | CSC1=C(C(=NS1)SC)C(=O)Cl |
| InChIKey | RGTALKSXFRVNIG-UHFFFAOYSA-N |
Product Overview
3,5-Bis(methylsulfanyl)-1,2-thiazole-4-carbonyl chloride (CAS 4886-16-2), with molecular formula C6H6ClNOS3 and molecular weight 238.93 g/mol. IUPAC: 3,5-bis(methylsulfanyl)-1,2-thiazole-4-carbonyl chloride.
Chemical Property Profile of 3,5-Bis(methylsulfanyl)-1,2-thiazole-4-carbonyl chloride
Property Insights of 3,5-Bis(methylsulfanyl)-1,2-thiazole-4-carbonyl chloride
The XLogP value of 3.2 indicates that 3,5-Bis(methylsulfanyl)-1,2-thiazole-4-carbonyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Bis(methylsulfanyl)-1,2-thiazole-4-carbonyl chloride. Following Lipinski's Rule of Five, 3,5-Bis(methylsulfanyl)-1,2-thiazole-4-carbonyl chloride has 0 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 3,5-Bis(methylsulfanyl)-1,2-thiazole-4-carbonyl chloride?
The CAS number of 3,5-Bis(methylsulfanyl)-1,2-thiazole-4-carbonyl chloride is 4886-16-2.
What is the molecular formula of 3,5-Bis(methylsulfanyl)-1,2-thiazole-4-carbonyl chloride?
The molecular formula of 3,5-Bis(methylsulfanyl)-1,2-thiazole-4-carbonyl chloride is C6H6ClNOS3.
What is the molecular weight of 3,5-Bis(methylsulfanyl)-1,2-thiazole-4-carbonyl chloride?
The molecular weight of 3,5-Bis(methylsulfanyl)-1,2-thiazole-4-carbonyl chloride is 238.93 g/mol.
Where can I buy 3,5-Bis(methylsulfanyl)-1,2-thiazole-4-carbonyl chloride?
You can request a quote for 3,5-Bis(methylsulfanyl)-1,2-thiazole-4-carbonyl chloride 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(methylsulfanyl)-1,2-thiazole-4-carbonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis(methylsulfanyl)-1,2-thiazole-4-carbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.