S-Ethyl propylcarbamothioate
TL;DR: S-Ethyl propylcarbamothioate (CAS 39078-45-0) 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-ethyl N-propylcarbamothioate
Also Known As: S-ETHYL PROPYLCARBAMOTHIOATE, S-ethyl N-propylcarbamothioate, N-propyl(ethylsulfanyl)formamide, 1-ethylsulfanyl-N-propyl-formamide, Propylthiocarbamic acid S-ethyl ester
| Molecular Formula | C6H13NOS |
|---|---|
| Molecular Weight | 147.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 147.0718 |
| Heavy Atoms | 9 |
| Complexity | 85.0 |
Chemical Identifiers
| CAS Number | 39078-45-0 |
|---|---|
| SMILES | CCCNC(=O)SCC |
| InChIKey | SDRPQSMIRUZDGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-Ethyl propylcarbamothioate (CAS 39078-45-0), with molecular formula C6H13NOS and molecular weight 147.07 g/mol. IUPAC: S-ethyl N-propylcarbamothioate.
Chemical Property Profile of S-Ethyl propylcarbamothioate
Property Insights of S-Ethyl propylcarbamothioate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Ethyl propylcarbamothioate. With a topological polar surface area (TPSA) of 54.4 Ų, S-Ethyl propylcarbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Ethyl propylcarbamothioate 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 S-Ethyl propylcarbamothioate?
The CAS number of S-Ethyl propylcarbamothioate is 39078-45-0.
What is the molecular formula of S-Ethyl propylcarbamothioate?
The molecular formula of S-Ethyl propylcarbamothioate is C6H13NOS.
What is the molecular weight of S-Ethyl propylcarbamothioate?
The molecular weight of S-Ethyl propylcarbamothioate is 147.07 g/mol.
Where can I buy S-Ethyl propylcarbamothioate?
You can request a quote for S-Ethyl propylcarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Ethyl propylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-Ethyl propylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.