S-Ethyl prop-2-en-1-ylcarbamothioate
TL;DR: S-Ethyl prop-2-en-1-ylcarbamothioate (CAS 39078-66-5) is a chemical compound with molecular formula C6H11NOS and molecular weight 145.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl N-prop-2-enylcarbamothioate
Also Known As: S-ethyl N-prop-2-enylcarbamothioate, S-Ethyl prop-2-en-1-ylcarbamothioate
| Molecular Formula | C6H11NOS |
|---|---|
| Molecular Weight | 145.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 145.05614 |
| Heavy Atoms | 9 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 39078-66-5 |
|---|---|
| SMILES | CCSC(=O)NCC=C |
| InChIKey | ZTJKADSGFILDSU-UHFFFAOYSA-N |
Product Overview
S-Ethyl prop-2-en-1-ylcarbamothioate (CAS 39078-66-5), with molecular formula C6H11NOS and molecular weight 145.06 g/mol. IUPAC: S-ethyl N-prop-2-enylcarbamothioate.
Chemical Property Profile of S-Ethyl prop-2-en-1-ylcarbamothioate
Property Insights of S-Ethyl prop-2-en-1-ylcarbamothioate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Ethyl prop-2-en-1-ylcarbamothioate. With a topological polar surface area (TPSA) of 54.4 Ų, S-Ethyl prop-2-en-1-ylcarbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Ethyl prop-2-en-1-ylcarbamothioate 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 prop-2-en-1-ylcarbamothioate?
The CAS number of S-Ethyl prop-2-en-1-ylcarbamothioate is 39078-66-5.
What is the molecular formula of S-Ethyl prop-2-en-1-ylcarbamothioate?
The molecular formula of S-Ethyl prop-2-en-1-ylcarbamothioate is C6H11NOS.
What is the molecular weight of S-Ethyl prop-2-en-1-ylcarbamothioate?
The molecular weight of S-Ethyl prop-2-en-1-ylcarbamothioate is 145.06 g/mol.
Where can I buy S-Ethyl prop-2-en-1-ylcarbamothioate?
You can request a quote for S-Ethyl prop-2-en-1-ylcarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Ethyl prop-2-en-1-ylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-Ethyl prop-2-en-1-ylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.