4-Chloro-1,1-dioxothiolan-3-yl methylsulfonate
TL;DR: 4-Chloro-1,1-dioxothiolan-3-yl methylsulfonate (CAS 39582-91-7) is a chemical compound with molecular formula C5H9ClO5S2 and molecular weight 247.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-1,1-dioxothiolan-3-yl) methanesulfonate
Also Known As: BAS 00092955, 4-chloro-1,1-dioxothiolan-3-yl methylsulfonate, (4-chloro-1,1-dioxothiolan-3-yl) methanesulfonate, 4-chloro-1,1-dioxo-1??-thiolan-3-yl methanesulfonate, 4-chloro-1,1-dioxidotetrahydro-3-thienyl methanesulfonate
| Molecular Formula | C5H9ClO5S2 |
|---|---|
| Molecular Weight | 247.96 g/mol |
| LogP | -0.633 |
| Topological Polar Surface Area | 77.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.958 |
| Heavy Atoms | 13 |
| Complexity | 383.1478 |
Chemical Identifiers
| CAS Number | 39582-91-7 |
|---|---|
| SMILES | CS(=O)(=O)OC1CS(=O)(=O)CC1Cl |
Product Overview
4-Chloro-1,1-dioxothiolan-3-yl methylsulfonate (CAS 39582-91-7), with molecular formula C5H9ClO5S2 and molecular weight 247.96 g/mol. IUPAC: (4-chloro-1,1-dioxothiolan-3-yl) methanesulfonate.
Chemical Property Profile of 4-Chloro-1,1-dioxothiolan-3-yl methylsulfonate
Property Insights of 4-Chloro-1,1-dioxothiolan-3-yl methylsulfonate
The XLogP value of -0.633 indicates that 4-Chloro-1,1-dioxothiolan-3-yl methylsulfonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-1,1-dioxothiolan-3-yl methylsulfonate. Following Lipinski's Rule of Five, 4-Chloro-1,1-dioxothiolan-3-yl methylsulfonate 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 4-Chloro-1,1-dioxothiolan-3-yl methylsulfonate?
The CAS number of 4-Chloro-1,1-dioxothiolan-3-yl methylsulfonate is 39582-91-7.
What is the molecular formula of 4-Chloro-1,1-dioxothiolan-3-yl methylsulfonate?
The molecular formula of 4-Chloro-1,1-dioxothiolan-3-yl methylsulfonate is C5H9ClO5S2.
What is the molecular weight of 4-Chloro-1,1-dioxothiolan-3-yl methylsulfonate?
The molecular weight of 4-Chloro-1,1-dioxothiolan-3-yl methylsulfonate is 247.96 g/mol.
Where can I buy 4-Chloro-1,1-dioxothiolan-3-yl methylsulfonate?
You can request a quote for 4-Chloro-1,1-dioxothiolan-3-yl methylsulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-1,1-dioxothiolan-3-yl methylsulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-1,1-dioxothiolan-3-yl methylsulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.