S-176 Mustard
TL;DR: S-176 Mustard (CAS 870-05-3) is a chemical compound with molecular formula C10H18Cl2N2O2S2 and molecular weight 332.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloroethylsulfanyl)-N-[2-[[2-(2-chloroethylsulfanyl)acetyl]amino]ethyl]acetamide
Also Known As: S-176 Mustard, S 176 mustard, S 46 (VAN), S 46, N,N'-Ethylene-bis(2-chloroethylthio)acetamide
| Molecular Formula | C10H18Cl2N2O2S2 |
|---|---|
| Molecular Weight | 332.02 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 332.01868 |
| Heavy Atoms | 18 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 870-05-3 |
|---|---|
| SMILES | C(CNC(=O)CSCCCl)NC(=O)CSCCCl |
| InChIKey | UFNLPKGIMRMNLG-UHFFFAOYSA-N |
Product Overview
S-176 Mustard (CAS 870-05-3), with molecular formula C10H18Cl2N2O2S2 and molecular weight 332.02 g/mol. IUPAC: 2-(2-chloroethylsulfanyl)-N-[2-[[2-(2-chloroethylsulfanyl)acetyl]amino]ethyl]acetamide.
Chemical Property Profile of S-176 Mustard
Property Insights of S-176 Mustard
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-176 Mustard. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-176 Mustard. Following Lipinski's Rule of Five, S-176 Mustard has 2 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 S-176 Mustard?
The CAS number of S-176 Mustard is 870-05-3.
What is the molecular formula of S-176 Mustard?
The molecular formula of S-176 Mustard is C10H18Cl2N2O2S2.
What is the molecular weight of S-176 Mustard?
The molecular weight of S-176 Mustard is 332.02 g/mol.
Where can I buy S-176 Mustard?
You can request a quote for S-176 Mustard directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-176 Mustard?
Yes, KEHONG BIO provides custom synthesis services for S-176 Mustard and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.