1,3-Oxathiolane-2-thione, 5-(chloromethyl)-
TL;DR: 1,3-Oxathiolane-2-thione, 5-(chloromethyl)- (CAS 28763-24-8) is a chemical compound with molecular formula C4H5ClOS2 and molecular weight 167.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-Oxathiolane-2-thione, 5-(chloromethyl)-
5-(chloromethyl)-1,3-oxathiolane-2-thione
Also Known As: 5-(Chloromethyl)-1,3-oxathiolane-2-thione, 5- -1,3-oxathiolane-2-thione, 1,3-Oxathiolane-2-thione, 5-(chloromethyl)-, 5-chloromethyl-1,3-oxathiolane-2-thione, 1,3-Oxathiolane-2-thione,5-(chloromethyl)-
| Molecular Formula | C4H5ClOS2 |
|---|---|
| Molecular Weight | 167.95 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.94704 |
| Heavy Atoms | 8 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 28763-24-8 |
|---|---|
| SMILES | C1C(OC(=S)S1)CCl |
| InChIKey | CIGBJQMSZPQOCY-UHFFFAOYSA-N |
Product Overview
1,3-Oxathiolane-2-thione, 5-(chloromethyl)- (CAS 28763-24-8), with molecular formula C4H5ClOS2 and molecular weight 167.95 g/mol. IUPAC: 5-(chloromethyl)-1,3-oxathiolane-2-thione.
Chemical Property Profile of 1,3-Oxathiolane-2-thione, 5-(chloromethyl)-
Property Insights of 1,3-Oxathiolane-2-thione, 5-(chloromethyl)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Oxathiolane-2-thione, 5-(chloromethyl)-. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Oxathiolane-2-thione, 5-(chloromethyl)-. Following Lipinski's Rule of Five, 5-(氯甲基)-1,3-氧硫杂环戊烷-2-硫酮 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-(氯甲基)-1,3-氧硫杂环戊烷-2-硫酮?
The CAS number of 5-(氯甲基)-1,3-氧硫杂环戊烷-2-硫酮 is 28763-24-8.
What is the molecular formula of 5-(氯甲基)-1,3-氧硫杂环戊烷-2-硫酮?
The molecular formula of 5-(氯甲基)-1,3-氧硫杂环戊烷-2-硫酮 is C4H5ClOS2.
What is the molecular weight of 5-(氯甲基)-1,3-氧硫杂环戊烷-2-硫酮?
The molecular weight of 5-(氯甲基)-1,3-氧硫杂环戊烷-2-硫酮 is 167.95 g/mol.
Where can I buy 5-(氯甲基)-1,3-氧硫杂环戊烷-2-硫酮?
You can request a quote for 5-(氯甲基)-1,3-氧硫杂环戊烷-2-硫酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(氯甲基)-1,3-氧硫杂环戊烷-2-硫酮?
Yes, KEHONG BIO provides custom synthesis services for 5-(氯甲基)-1,3-氧硫杂环戊烷-2-硫酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.