5-Chloro-2,4-dithiahexane 2,2-dioxide
TL;DR: 5-Chloro-2,4-dithiahexane 2,2-dioxide (CAS 68483-77-2) is a chemical compound with molecular formula C4H9ClO2S2 and molecular weight 187.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-1-(methylsulfonylmethylsulfanyl)ethane
Also Known As: 5-Chloro-2,4-dithiahexane 2,2-dioxide, 1-chloro-1-methanesulfonylmethylsulfanyl-ethane, [(1-Chloroethyl)sulfanyl]methyl methyl sulfone, 1-chloro-1-(methylsulfonylmethylsulfanyl)ethane, 1-Chloro-1-[[(methylsulfonyl)methyl]thio]ethane
| Molecular Formula | C4H9ClO2S2 |
|---|---|
| Molecular Weight | 187.97 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 187.97325 |
| Heavy Atoms | 9 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 68483-77-2 |
|---|---|
| SMILES | CC(SCS(=O)(=O)C)Cl |
| InChIKey | AHCPQZKYSRBCHZ-UHFFFAOYSA-N |
Product Overview
5-Chloro-2,4-dithiahexane 2,2-dioxide (CAS 68483-77-2), with molecular formula C4H9ClO2S2 and molecular weight 187.97 g/mol. IUPAC: 1-chloro-1-(methylsulfonylmethylsulfanyl)ethane.
Chemical Property Profile of 5-Chloro-2,4-dithiahexane 2,2-dioxide
Property Insights of 5-Chloro-2,4-dithiahexane 2,2-dioxide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-2,4-dithiahexane 2,2-dioxide. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-2,4-dithiahexane 2,2-dioxide. Following Lipinski's Rule of Five, 5-Chloro-2,4-dithiahexane 2,2-dioxide has 0 hydrogen bond donor(s) and 3 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-Chloro-2,4-dithiahexane 2,2-dioxide?
The CAS number of 5-Chloro-2,4-dithiahexane 2,2-dioxide is 68483-77-2.
What is the molecular formula of 5-Chloro-2,4-dithiahexane 2,2-dioxide?
The molecular formula of 5-Chloro-2,4-dithiahexane 2,2-dioxide is C4H9ClO2S2.
What is the molecular weight of 5-Chloro-2,4-dithiahexane 2,2-dioxide?
The molecular weight of 5-Chloro-2,4-dithiahexane 2,2-dioxide is 187.97 g/mol.
Where can I buy 5-Chloro-2,4-dithiahexane 2,2-dioxide?
You can request a quote for 5-Chloro-2,4-dithiahexane 2,2-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2,4-dithiahexane 2,2-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2,4-dithiahexane 2,2-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.