S-Ethyl methyl(1-phenylbutyl)carbamothioate
TL;DR: S-Ethyl methyl(1-phenylbutyl)carbamothioate (CAS 93589-72-1) is a chemical compound with molecular formula C14H21NOS and molecular weight 251.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl N-methyl-N-(1-phenylbutyl)carbamothioate
Also Known As: S-ETHYL METHYL(1-PHENYLBUTYL)CARBAMOTHIOATE, S-ethyl N-methyl-N-(1-phenylbutyl)carbamothioate, 1-ethylsulfanyl-N-methyl-N-(1-phenylbutyl)formamide, Carbamothioic acid, methyl(1-phenylbutyl)-, S-ethyl ester
| Molecular Formula | C14H21NOS |
|---|---|
| Molecular Weight | 251.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 251.13438 |
| Heavy Atoms | 17 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 93589-72-1 |
|---|---|
| SMILES | CCCC(C1=CC=CC=C1)N(C)C(=O)SCC |
| InChIKey | CBCMAGDQPMVOGU-UHFFFAOYSA-N |
Product Overview
S-Ethyl methyl(1-phenylbutyl)carbamothioate (CAS 93589-72-1), with molecular formula C14H21NOS and molecular weight 251.13 g/mol. IUPAC: S-ethyl N-methyl-N-(1-phenylbutyl)carbamothioate.
Chemical Property Profile of S-Ethyl methyl(1-phenylbutyl)carbamothioate
Property Insights of S-Ethyl methyl(1-phenylbutyl)carbamothioate
The XLogP value of 3.8 indicates that S-Ethyl methyl(1-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 methyl(1-phenylbutyl)carbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Ethyl methyl(1-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
Frequently Asked Questions
What is the CAS number of S-Ethyl methyl(1-phenylbutyl)carbamothioate?
The CAS number of S-Ethyl methyl(1-phenylbutyl)carbamothioate is 93589-72-1.
What is the molecular formula of S-Ethyl methyl(1-phenylbutyl)carbamothioate?
The molecular formula of S-Ethyl methyl(1-phenylbutyl)carbamothioate is C14H21NOS.
What is the molecular weight of S-Ethyl methyl(1-phenylbutyl)carbamothioate?
The molecular weight of S-Ethyl methyl(1-phenylbutyl)carbamothioate is 251.13 g/mol.
Where can I buy S-Ethyl methyl(1-phenylbutyl)carbamothioate?
You can request a quote for S-Ethyl methyl(1-phenylbutyl)carbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Ethyl methyl(1-phenylbutyl)carbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-Ethyl methyl(1-phenylbutyl)carbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.