双硫仑
TL;DR: 双硫仑 (CAS 97-77-8) is a chemical compound with molecular formula C10H20N2S4 and molecular weight 296.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
双硫仑
diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate
Also Known As: disulfiram, Tetraethylthiuram disulfide, Antabuse, Antabus, Esperal
| Molecular Formula | C10H20N2S4 |
|---|---|
| Molecular Weight | 296.05 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 296.05093 |
| Heavy Atoms | 16 |
| Complexity | 201.0 |
| Melting Point | 70.0 °C |
| Boiling Point | 117.2 °C at 17 mmHg |
| Density | 1.27 at 20.0 °C |
| Solubility | less than 0.1 mg/mL at 70 °F (NTP, 1992) |
| Vapor Pressure | 0 mmHg at 20.0 °C approximately |
Chemical Identifiers
| CAS Number | 97-77-8 |
|---|---|
| SMILES | CCN(CC)C(=S)SSC(=S)N(CC)CC |
| InChIKey | AUZONCFQVSMFAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
双硫仑 (CAS 97-77-8), with molecular formula C10H20N2S4 and molecular weight 296.05 g/mol. IUPAC: diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate.
Chemical Property Profile of 双硫仑
Property Insights of 双硫仑
The XLogP value of 3.9 indicates that 双硫仑 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 双硫仑. Following Lipinski's Rule of Five, 双硫仑 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 双硫仑?
The CAS number of 双硫仑 is 97-77-8.
What is the molecular formula of 双硫仑?
The molecular formula of 双硫仑 is C10H20N2S4.
What is the molecular weight of 双硫仑?
The molecular weight of 双硫仑 is 296.05 g/mol.
Where can I buy 双硫仑?
You can request a quote for 双硫仑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 双硫仑?
Yes, KEHONG BIO provides custom synthesis services for 双硫仑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.