N,N'-Diethylthiuram disulfide
TL;DR: N,N'-Diethylthiuram disulfide (CAS 2438-91-7) is a chemical compound with molecular formula C6H12N2S4 and molecular weight 239.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethylcarbamothioylsulfanyl N-ethylcarbamodithioate
Also Known As: Chlorfenac-sodium, Disulfiram analog 1, N,N'-Diethylthiuram disulfide, diethyl thiuram disulfide, Disulfide, bis(ethylthiocarbamoyl)
| Molecular Formula | C6H12N2S4 |
|---|---|
| Molecular Weight | 239.99 g/mol |
| LogP | 2.1566 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.98833 |
| Heavy Atoms | 12 |
| Complexity | 141.62708 |
Chemical Identifiers
| CAS Number | 2438-91-7 |
|---|---|
| SMILES | CCNC(=S)SSC(=S)NCC |
Product Overview
N,N'-Diethylthiuram disulfide (CAS 2438-91-7), with molecular formula C6H12N2S4 and molecular weight 239.99 g/mol. IUPAC: ethylcarbamothioylsulfanyl N-ethylcarbamodithioate.
Chemical Property Profile of N,N'-Diethylthiuram disulfide
Property Insights of N,N'-Diethylthiuram disulfide
The XLogP value of 2.1566 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N'-Diethylthiuram disulfide. With a topological polar surface area (TPSA) of 24.06 Ų, N,N'-Diethylthiuram disulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N'-Diethylthiuram disulfide 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 N,N'-Diethylthiuram disulfide?
The CAS number of N,N'-Diethylthiuram disulfide is 2438-91-7.
What is the molecular formula of N,N'-Diethylthiuram disulfide?
The molecular formula of N,N'-Diethylthiuram disulfide is C6H12N2S4.
What is the molecular weight of N,N'-Diethylthiuram disulfide?
The molecular weight of N,N'-Diethylthiuram disulfide is 239.99 g/mol.
Where can I buy N,N'-Diethylthiuram disulfide?
You can request a quote for N,N'-Diethylthiuram disulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N'-Diethylthiuram disulfide?
Yes, KEHONG BIO provides custom synthesis services for N,N'-Diethylthiuram disulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.