s1,s2-Bis(2-chloroethyl) ethanebis(thioate)
TL;DR: s1,s2-Bis(2-chloroethyl) ethanebis(thioate) (CAS 93615-53-3) is a chemical compound with molecular formula C6H8Cl2O2S2 and molecular weight 245.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-S,2-S-bis(2-chloroethyl) ethanebis(thioate)
Also Known As: 1,2-bis ethane-1,2-dione, s1,s2-bis(2-chloroethyl) ethanebis(thioate), Oxalic acid, dithiolbis(2-chloroethyl) ester, 1-S,2-S-bis(2-chloroethyl) ethanebis(thioate), S~1~,S~2~-Bis(2-chloroethyl) ethanebis(thioate)
| Molecular Formula | C6H8Cl2O2S2 |
|---|---|
| Molecular Weight | 245.93 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 245.93428 |
| Heavy Atoms | 12 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 93615-53-3 |
|---|---|
| SMILES | C(CCl)SC(=O)C(=O)SCCCl |
| InChIKey | ZAPWXIJHPAXEQP-UHFFFAOYSA-N |
Product Overview
s1,s2-Bis(2-chloroethyl) ethanebis(thioate) (CAS 93615-53-3), with molecular formula C6H8Cl2O2S2 and molecular weight 245.93 g/mol. IUPAC: 1-S,2-S-bis(2-chloroethyl) ethanebis(thioate).
Chemical Property Profile of s1,s2-Bis(2-chloroethyl) ethanebis(thioate)
Property Insights of s1,s2-Bis(2-chloroethyl) ethanebis(thioate)
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for s1,s2-Bis(2-chloroethyl) ethanebis(thioate). The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for s1,s2-Bis(2-chloroethyl) ethanebis(thioate). Following Lipinski's Rule of Five, s1,s2-Bis(2-chloroethyl) ethanebis(thioate) has 0 hydrogen bond donor(s) and 4 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 s1,s2-Bis(2-chloroethyl) ethanebis(thioate)?
The CAS number of s1,s2-Bis(2-chloroethyl) ethanebis(thioate) is 93615-53-3.
What is the molecular formula of s1,s2-Bis(2-chloroethyl) ethanebis(thioate)?
The molecular formula of s1,s2-Bis(2-chloroethyl) ethanebis(thioate) is C6H8Cl2O2S2.
What is the molecular weight of s1,s2-Bis(2-chloroethyl) ethanebis(thioate)?
The molecular weight of s1,s2-Bis(2-chloroethyl) ethanebis(thioate) is 245.93 g/mol.
Where can I buy s1,s2-Bis(2-chloroethyl) ethanebis(thioate)?
You can request a quote for s1,s2-Bis(2-chloroethyl) ethanebis(thioate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s1,s2-Bis(2-chloroethyl) ethanebis(thioate)?
Yes, KEHONG BIO provides custom synthesis services for s1,s2-Bis(2-chloroethyl) ethanebis(thioate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.