Methyl N,N-diethyldithiocarbamate
TL;DR: Methyl N,N-diethyldithiocarbamate (CAS 686-07-7) is a chemical compound with molecular formula C6H13NS2 and molecular weight 163.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N,N-diethylcarbamodithioate
Also Known As: Methyl diethyldithiocarbamate, methyl N,N-diethylcarbamodithioate, Me-DTC, methyl diethylcarbamodithioate, Disulfiram metabolite
| Molecular Formula | C6H13NS2 |
|---|---|
| Molecular Weight | 163.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 60.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 163.04893 |
| Heavy Atoms | 9 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 686-07-7 |
|---|---|
| SMILES | CCN(CC)C(=S)SC |
| InChIKey | JYRXPFCUABYLPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl N,N-diethyldithiocarbamate (CAS 686-07-7), with molecular formula C6H13NS2 and molecular weight 163.05 g/mol. IUPAC: methyl N,N-diethylcarbamodithioate.
Chemical Property Profile of Methyl N,N-diethyldithiocarbamate
Property Insights of Methyl N,N-diethyldithiocarbamate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl N,N-diethyldithiocarbamate. The TPSA of 60.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl N,N-diethyldithiocarbamate. Following Lipinski's Rule of Five, Methyl N,N-diethyldithiocarbamate has 0 hydrogen bond donor(s) and 2 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 Methyl N,N-diethyldithiocarbamate?
The CAS number of Methyl N,N-diethyldithiocarbamate is 686-07-7.
What is the molecular formula of Methyl N,N-diethyldithiocarbamate?
The molecular formula of Methyl N,N-diethyldithiocarbamate is C6H13NS2.
What is the molecular weight of Methyl N,N-diethyldithiocarbamate?
The molecular weight of Methyl N,N-diethyldithiocarbamate is 163.05 g/mol.
Where can I buy Methyl N,N-diethyldithiocarbamate?
You can request a quote for Methyl N,N-diethyldithiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N,N-diethyldithiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N,N-diethyldithiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.