![S-{2-[(2-chloroethyl)sulfanyl]ethyl} pentanethioate structure](/static/products/909/90948-65-5.png)
S-{2-[(2-chloroethyl)sulfanyl]ethyl} pentanethioate
TL;DR: S-{2-[(2-chloroethyl)sulfanyl]ethyl} pentanethioate (CAS 90948-65-5) is a chemical compound with molecular formula C9H17ClOS2 and molecular weight 240.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-(2-chloroethylsulfanyl)ethyl] pentanethioate
Also Known As: S-{2-[(2-chloroethyl)sulfanyl]ethyl} pentanethioate, S-[2-(2-chloroethylsulfanyl)ethyl] pentanethioate
| Molecular Formula | C9H17ClOS2 |
|---|---|
| Molecular Weight | 240.04 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 240.04094 |
| Heavy Atoms | 13 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 90948-65-5 |
|---|---|
| SMILES | CCCCC(=O)SCCSCCCl |
| InChIKey | LEZDIPABYCQBCJ-UHFFFAOYSA-N |
Product Overview
S-{2-[(2-chloroethyl)sulfanyl]ethyl} pentanethioate (CAS 90948-65-5), with molecular formula C9H17ClOS2 and molecular weight 240.04 g/mol. IUPAC: S-[2-(2-chloroethylsulfanyl)ethyl] pentanethioate.
Chemical Property Profile of S-{2-[(2-chloroethyl)sulfanyl]ethyl} pentanethioate
Property Insights of S-{2-[(2-chloroethyl)sulfanyl]ethyl} pentanethioate
The XLogP value of 3.3 indicates that S-{2-[(2-chloroethyl)sulfanyl]ethyl} pentanethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for S-{2-[(2-chloroethyl)sulfanyl]ethyl} pentanethioate. Following Lipinski's Rule of Five, S-{2-[(2-chloroethyl)sulfanyl]ethyl} pentanethioate 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 S-{2-[(2-chloroethyl)sulfanyl]ethyl} pentanethioate?
The CAS number of S-{2-[(2-chloroethyl)sulfanyl]ethyl} pentanethioate is 90948-65-5.
What is the molecular formula of S-{2-[(2-chloroethyl)sulfanyl]ethyl} pentanethioate?
The molecular formula of S-{2-[(2-chloroethyl)sulfanyl]ethyl} pentanethioate is C9H17ClOS2.
What is the molecular weight of S-{2-[(2-chloroethyl)sulfanyl]ethyl} pentanethioate?
The molecular weight of S-{2-[(2-chloroethyl)sulfanyl]ethyl} pentanethioate is 240.04 g/mol.
Where can I buy S-{2-[(2-chloroethyl)sulfanyl]ethyl} pentanethioate?
You can request a quote for S-{2-[(2-chloroethyl)sulfanyl]ethyl} pentanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-{2-[(2-chloroethyl)sulfanyl]ethyl} pentanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-{2-[(2-chloroethyl)sulfanyl]ethyl} pentanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.