S-ethyl N-benzyl-N-ethylcarbamothioate
TL;DR: S-ethyl N-benzyl-N-ethylcarbamothioate (CAS 30215-40-8) is a chemical compound with molecular formula C12H17NOS and molecular weight 223.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl N-benzyl-N-ethylcarbamothioate
Also Known As: S-ethyl N-benzyl-N-ethylcarbamothioate, S-Ethyl benzyl(ethyl)carbamothioate, N-benzyl-N-ethyl-1-ethylsulfanyl-formamide
| Molecular Formula | C12H17NOS |
|---|---|
| Molecular Weight | 223.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.10309 |
| Heavy Atoms | 15 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 30215-40-8 |
|---|---|
| SMILES | CCN(CC1=CC=CC=C1)C(=O)SCC |
| InChIKey | FOGYYKIOQROCMK-UHFFFAOYSA-N |
Product Overview
S-ethyl N-benzyl-N-ethylcarbamothioate (CAS 30215-40-8), with molecular formula C12H17NOS and molecular weight 223.10 g/mol. IUPAC: S-ethyl N-benzyl-N-ethylcarbamothioate.
Chemical Property Profile of S-ethyl N-benzyl-N-ethylcarbamothioate
Property Insights of S-ethyl N-benzyl-N-ethylcarbamothioate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-ethyl N-benzyl-N-ethylcarbamothioate. With a topological polar surface area (TPSA) of 45.6 Ų, S-ethyl N-benzyl-N-ethylcarbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-ethyl N-benzyl-N-ethylcarbamothioate 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-ethyl N-benzyl-N-ethylcarbamothioate?
The CAS number of S-ethyl N-benzyl-N-ethylcarbamothioate is 30215-40-8.
What is the molecular formula of S-ethyl N-benzyl-N-ethylcarbamothioate?
The molecular formula of S-ethyl N-benzyl-N-ethylcarbamothioate is C12H17NOS.
What is the molecular weight of S-ethyl N-benzyl-N-ethylcarbamothioate?
The molecular weight of S-ethyl N-benzyl-N-ethylcarbamothioate is 223.10 g/mol.
Where can I buy S-ethyl N-benzyl-N-ethylcarbamothioate?
You can request a quote for S-ethyl N-benzyl-N-ethylcarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-ethyl N-benzyl-N-ethylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-ethyl N-benzyl-N-ethylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.