1,2-雙(2-氯乙基硫基)乙烷
TL;DR: 1,2-雙(2-氯乙基硫基)乙烷 (CAS 3563-36-8) is a chemical compound with molecular formula C6H12Cl2S2 and molecular weight 217.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-雙(2-氯乙基硫基)乙烷
1,2-bis(2-chloroethylsulfanyl)ethane
Also Known As: Sesquimustard, Sesquimustard Q, Agent Q, Sesquisulfur Mustard, Sesqui-mustard Q
| Molecular Formula | C6H12Cl2S2 |
|---|---|
| Molecular Weight | 217.98 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 217.97575 |
| Heavy Atoms | 10 |
| Complexity | 53.0 |
| Melting Point | 56 °C |
| Boiling Point | Decomposes |
| Density | 1.27 at 25 °C |
| Solubility | Although sulfur mustards have limited solubility in water at neutral pH, the small quantity that dissolves is reactive. /Sulfur mustards/ |
| Vapor Pressure | 3.5X10-6 mm Hg at 25 °C |
Chemical Identifiers
| CAS Number | 3563-36-8 |
|---|---|
| SMILES | C(CSCCCl)SCCCl |
| InChIKey | AMGNHZVUZWILSB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-雙(2-氯乙基硫基)乙烷 (CAS 3563-36-8), with molecular formula C6H12Cl2S2 and molecular weight 217.98 g/mol. IUPAC: 1,2-bis(2-chloroethylsulfanyl)ethane.
Chemical Property Profile of 1,2-雙(2-氯乙基硫基)乙烷
Property Insights of 1,2-雙(2-氯乙基硫基)乙烷
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-雙(2-氯乙基硫基)乙烷. With a topological polar surface area (TPSA) of 50.6 Ų, 1,2-雙(2-氯乙基硫基)乙烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-雙(2-氯乙基硫基)乙烷 has 0 hydrogen bond donor(s) and 2 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 1,2-雙(2-氯乙基硫基)乙烷?
The CAS number of 1,2-雙(2-氯乙基硫基)乙烷 is 3563-36-8.
What is the molecular formula of 1,2-雙(2-氯乙基硫基)乙烷?
The molecular formula of 1,2-雙(2-氯乙基硫基)乙烷 is C6H12Cl2S2.
What is the molecular weight of 1,2-雙(2-氯乙基硫基)乙烷?
The molecular weight of 1,2-雙(2-氯乙基硫基)乙烷 is 217.98 g/mol.
Where can I buy 1,2-雙(2-氯乙基硫基)乙烷?
You can request a quote for 1,2-雙(2-氯乙基硫基)乙烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-雙(2-氯乙基硫基)乙烷?
Yes, KEHONG BIO provides custom synthesis services for 1,2-雙(2-氯乙基硫基)乙烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.