![S-[2-(diethylcarbamoylsulfanyl)ethyl] N,N-diethylcarbamothioate structure](/static/products/5010/501074-02-8.webp)
S-[2-(diethylcarbamoylsulfanyl)ethyl] N,N-diethylcarbamothioate
TL;DR: S-[2-(diethylcarbamoylsulfanyl)ethyl] N,N-diethylcarbamothioate (CAS 501074-02-8) is a chemical compound with molecular formula C12H24N2O2S2 and molecular weight 292.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-(diethylcarbamoylsulfanyl)ethyl] N,N-diethylcarbamothioate
Also Known As: S,S'-ethane-1,2-diyl bis(diethylcarbamothioate), S-[2-(diethylcarbamoylsulfanyl)ethyl] N,N-diethylcarbamothioate, Carbamothioic acid, diethyl-, S,S'-1,2-ethanediyl ester
| Molecular Formula | C12H24N2O2S2 |
|---|---|
| Molecular Weight | 292.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 91.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 292.12793 |
| Heavy Atoms | 18 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 501074-02-8 |
|---|---|
| SMILES | CCN(CC)C(=O)SCCSC(=O)N(CC)CC |
| InChIKey | YJPIGXQRBMOPSL-UHFFFAOYSA-N |
Product Overview
S-[2-(diethylcarbamoylsulfanyl)ethyl] N,N-diethylcarbamothioate (CAS 501074-02-8), with molecular formula C12H24N2O2S2 and molecular weight 292.13 g/mol. IUPAC: S-[2-(diethylcarbamoylsulfanyl)ethyl] N,N-diethylcarbamothioate.
Chemical Property Profile of S-[2-(diethylcarbamoylsulfanyl)ethyl] N,N-diethylcarbamothioate
Property Insights of S-[2-(diethylcarbamoylsulfanyl)ethyl] N,N-diethylcarbamothioate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-[2-(diethylcarbamoylsulfanyl)ethyl] N,N-diethylcarbamothioate. The TPSA of 91.2 Ų falls within the moderate polarity range, balancing permeability and solubility for S-[2-(diethylcarbamoylsulfanyl)ethyl] N,N-diethylcarbamothioate. Following Lipinski's Rule of Five, S-[2-(diethylcarbamoylsulfanyl)ethyl] N,N-diethylcarbamothioate 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 S-[2-(diethylcarbamoylsulfanyl)ethyl] N,N-diethylcarbamothioate?
The CAS number of S-[2-(diethylcarbamoylsulfanyl)ethyl] N,N-diethylcarbamothioate is 501074-02-8.
What is the molecular formula of S-[2-(diethylcarbamoylsulfanyl)ethyl] N,N-diethylcarbamothioate?
The molecular formula of S-[2-(diethylcarbamoylsulfanyl)ethyl] N,N-diethylcarbamothioate is C12H24N2O2S2.
What is the molecular weight of S-[2-(diethylcarbamoylsulfanyl)ethyl] N,N-diethylcarbamothioate?
The molecular weight of S-[2-(diethylcarbamoylsulfanyl)ethyl] N,N-diethylcarbamothioate is 292.13 g/mol.
Where can I buy S-[2-(diethylcarbamoylsulfanyl)ethyl] N,N-diethylcarbamothioate?
You can request a quote for S-[2-(diethylcarbamoylsulfanyl)ethyl] N,N-diethylcarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-[2-(diethylcarbamoylsulfanyl)ethyl] N,N-diethylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-[2-(diethylcarbamoylsulfanyl)ethyl] N,N-diethylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.