S-ethyl N-benzyl-N-tert-butylcarbamothioate
TL;DR: S-ethyl N-benzyl-N-tert-butylcarbamothioate (CAS 13064-50-1) is a chemical compound with molecular formula C14H21NOS and molecular weight 251.13438 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-ethyl N-benzyl-N-tert-butylcarbamothioate
Also Known As: s-ethyl benzyl(tert-butyl)carbamothioate, S-ethyl N-benzyl-N-tert-butylcarbamothioate, N-benzyl-1-ethylsulfanyl-N-tert-butyl-formamide
Technical Specifications
| Molecular Formula | C14H21NOS |
| Molecular Weight | 251.13438 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.13438 Da |
| Heavy Atoms | 17 |
| Complexity | 241.0 |
| SMILES | CCSC(=O)N(CC1=CC=CC=C1)C(C)(C)C |
| InChIKey | MWVWMOHMBISXCK-UHFFFAOYSA-N |
Chemical Property Profile of S-ethyl N-benzyl-N-tert-butylcarbamothioate
Property Insights of S-ethyl N-benzyl-N-tert-butylcarbamothioate
The XLogP value of 3.5 indicates that S-ethyl N-benzyl-N-tert-butylcarbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, S-ethyl N-benzyl-N-tert-butylcarbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-ethyl N-benzyl-N-tert-butylcarbamothioate 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
What is the CAS number of S-ethyl N-benzyl-N-tert-butylcarbamothioate?
The CAS number of S-ethyl N-benzyl-N-tert-butylcarbamothioate is 13064-50-1.
What is the molecular formula of S-ethyl N-benzyl-N-tert-butylcarbamothioate?
The molecular formula of S-ethyl N-benzyl-N-tert-butylcarbamothioate is C14H21NOS.
What is the molecular weight of S-ethyl N-benzyl-N-tert-butylcarbamothioate?
The molecular weight of S-ethyl N-benzyl-N-tert-butylcarbamothioate is 251.13438 g/mol.
Where can I buy S-ethyl N-benzyl-N-tert-butylcarbamothioate?
You can request a quote for S-ethyl N-benzyl-N-tert-butylcarbamothioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-ethyl N-benzyl-N-tert-butylcarbamothioate?
Yes, CoreyChem provides custom synthesis services for S-ethyl N-benzyl-N-tert-butylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.