2-Chloroethyl-3-chloropropylsulfide
TL;DR: 2-Chloroethyl-3-chloropropylsulfide (CAS 71784-01-5) is a chemical compound with molecular formula C5H10Cl2S and molecular weight 171.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-(2-chloroethylsulfanyl)propane
Also Known As: CLEPS, 1-chloro-3- propane, 2-Chloroethyl-3-chloropropylsulfide, 1-Chloro-3-((2-chloroethyl)thio)propane, 2-Chloroethyl-3-chloropropyl sulfide
| Molecular Formula | C5H10Cl2S |
|---|---|
| Molecular Weight | 171.99 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 171.98802 |
| Heavy Atoms | 8 |
| Complexity | 41.0 |
Chemical Identifiers
| CAS Number | 71784-01-5 |
|---|---|
| SMILES | C(CSCCCl)CCl |
| InChIKey | NXRPRUPNFDEDSY-UHFFFAOYSA-N |
Product Overview
2-Chloroethyl-3-chloropropylsulfide (CAS 71784-01-5), with molecular formula C5H10Cl2S and molecular weight 171.99 g/mol. IUPAC: 1-chloro-3-(2-chloroethylsulfanyl)propane.
Chemical Property Profile of 2-Chloroethyl-3-chloropropylsulfide
Property Insights of 2-Chloroethyl-3-chloropropylsulfide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroethyl-3-chloropropylsulfide. With a topological polar surface area (TPSA) of 25.3 Ų, 2-Chloroethyl-3-chloropropylsulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl-3-chloropropylsulfide has 0 hydrogen bond donor(s) and 1 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 2-Chloroethyl-3-chloropropylsulfide?
The CAS number of 2-Chloroethyl-3-chloropropylsulfide is 71784-01-5.
What is the molecular formula of 2-Chloroethyl-3-chloropropylsulfide?
The molecular formula of 2-Chloroethyl-3-chloropropylsulfide is C5H10Cl2S.
What is the molecular weight of 2-Chloroethyl-3-chloropropylsulfide?
The molecular weight of 2-Chloroethyl-3-chloropropylsulfide is 171.99 g/mol.
Where can I buy 2-Chloroethyl-3-chloropropylsulfide?
You can request a quote for 2-Chloroethyl-3-chloropropylsulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethyl-3-chloropropylsulfide?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl-3-chloropropylsulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.