S-Methyl N,N-diethylthiocarbamate
TL;DR: S-Methyl N,N-diethylthiocarbamate (CAS 37174-63-3) is a chemical compound with molecular formula C6H13NOS and molecular weight 147.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-methyl N,N-diethylcarbamothioate
Also Known As: S-Methyl N,N-Diethylthiocarbamate, S-Methyl diethylthiocarbamate, S-MDM, E-Ceftazidime, s-methyl diethylcarbamothioate
| Molecular Formula | C6H13NOS |
|---|---|
| Molecular Weight | 147.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 147.0718 |
| Heavy Atoms | 9 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 37174-63-3 |
|---|---|
| SMILES | CCN(CC)C(=O)SC |
| InChIKey | AQTFQQHFHGBCPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-Methyl N,N-diethylthiocarbamate (CAS 37174-63-3), with molecular formula C6H13NOS and molecular weight 147.07 g/mol. IUPAC: S-methyl N,N-diethylcarbamothioate.
Chemical Property Profile of S-Methyl N,N-diethylthiocarbamate
Property Insights of S-Methyl N,N-diethylthiocarbamate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Methyl N,N-diethylthiocarbamate. With a topological polar surface area (TPSA) of 45.6 Ų, S-Methyl N,N-diethylthiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Methyl N,N-diethylthiocarbamate 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 S-Methyl N,N-diethylthiocarbamate?
The CAS number of S-Methyl N,N-diethylthiocarbamate is 37174-63-3.
What is the molecular formula of S-Methyl N,N-diethylthiocarbamate?
The molecular formula of S-Methyl N,N-diethylthiocarbamate is C6H13NOS.
What is the molecular weight of S-Methyl N,N-diethylthiocarbamate?
The molecular weight of S-Methyl N,N-diethylthiocarbamate is 147.07 g/mol.
Where can I buy S-Methyl N,N-diethylthiocarbamate?
You can request a quote for S-Methyl N,N-diethylthiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Methyl N,N-diethylthiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for S-Methyl N,N-diethylthiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.