S-ethyl N-methyl-N-(2-phenylbutyl)carbamothioate
TL;DR: S-ethyl N-methyl-N-(2-phenylbutyl)carbamothioate (CAS 13084-13-4) 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-methyl-N-(2-phenylbutyl)carbamothioate
Also Known As: s-ethyl methyl(2-phenylbutyl)carbamothioate, S-ethyl N-methyl-N-(2-phenylbutyl)carbamothioate, 1-ethylsulfanyl-N-methyl-N-(2-phenylbutyl)formamide, Carbamothioic acid, N-methyl-N-(2-phenylbutyl)-, S-ethyl ester
Technical Specifications
| Molecular Formula | C14H21NOS |
| Molecular Weight | 251.13438 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 251.13438 Da |
| Heavy Atoms | 17 |
| Complexity | 226.0 |
| SMILES | CCC(CN(C)C(=O)SCC)C1=CC=CC=C1 |
| InChIKey | PHPPYCACCYGKFH-UHFFFAOYSA-N |
Chemical Property Profile of S-ethyl N-methyl-N-(2-phenylbutyl)carbamothioate
Property Insights of S-ethyl N-methyl-N-(2-phenylbutyl)carbamothioate
The XLogP value of 3.7 indicates that S-ethyl N-methyl-N-(2-phenylbutyl)carbamothioate 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-methyl-N-(2-phenylbutyl)carbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-ethyl N-methyl-N-(2-phenylbutyl)carbamothioate 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-methyl-N-(2-phenylbutyl)carbamothioate?
The CAS number of S-ethyl N-methyl-N-(2-phenylbutyl)carbamothioate is 13084-13-4.
What is the molecular formula of S-ethyl N-methyl-N-(2-phenylbutyl)carbamothioate?
The molecular formula of S-ethyl N-methyl-N-(2-phenylbutyl)carbamothioate is C14H21NOS.
What is the molecular weight of S-ethyl N-methyl-N-(2-phenylbutyl)carbamothioate?
The molecular weight of S-ethyl N-methyl-N-(2-phenylbutyl)carbamothioate is 251.13438 g/mol.
Where can I buy S-ethyl N-methyl-N-(2-phenylbutyl)carbamothioate?
You can request a quote for S-ethyl N-methyl-N-(2-phenylbutyl)carbamothioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-ethyl N-methyl-N-(2-phenylbutyl)carbamothioate?
Yes, CoreyChem provides custom synthesis services for S-ethyl N-methyl-N-(2-phenylbutyl)carbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.