Carbamothioic acid, N-ethyl S-ethyl ester
TL;DR: Carbamothioic acid, N-ethyl S-ethyl ester (CAS 39078-37-0) is a chemical compound with molecular formula C5H11NOS and molecular weight 133.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl N-ethylcarbamothioate
Also Known As: N-Ethyl-1-ethylthioformamide, S-Ethyl-N-ethylcarbamothioate, S-ethyl N-ethylthiocarbamate, S-Ethyl ethylcarbamothioate, S-ethyl N-ethylcarbamothioate
| Molecular Formula | C5H11NOS |
|---|---|
| Molecular Weight | 133.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 133.05614 |
| Heavy Atoms | 8 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 39078-37-0 |
|---|---|
| SMILES | CCNC(=O)SCC |
| InChIKey | QZNQACSMBNUDDP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamothioic acid, N-ethyl S-ethyl ester (CAS 39078-37-0), with molecular formula C5H11NOS and molecular weight 133.06 g/mol. IUPAC: S-ethyl N-ethylcarbamothioate.
Chemical Property Profile of Carbamothioic acid, N-ethyl S-ethyl ester
Property Insights of Carbamothioic acid, N-ethyl S-ethyl ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamothioic acid, N-ethyl S-ethyl ester. With a topological polar surface area (TPSA) of 54.4 Ų, Carbamothioic acid, N-ethyl S-ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamothioic acid, N-ethyl S-ethyl ester has 1 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 Carbamothioic acid, N-ethyl S-ethyl ester?
The CAS number of Carbamothioic acid, N-ethyl S-ethyl ester is 39078-37-0.
What is the molecular formula of Carbamothioic acid, N-ethyl S-ethyl ester?
The molecular formula of Carbamothioic acid, N-ethyl S-ethyl ester is C5H11NOS.
What is the molecular weight of Carbamothioic acid, N-ethyl S-ethyl ester?
The molecular weight of Carbamothioic acid, N-ethyl S-ethyl ester is 133.06 g/mol.
Where can I buy Carbamothioic acid, N-ethyl S-ethyl ester?
You can request a quote for Carbamothioic acid, N-ethyl S-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamothioic acid, N-ethyl S-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamothioic acid, N-ethyl S-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.