Carbamothioic acid, methyl(1-phenylethyl)-, S-ethyl ester
TL;DR: Carbamothioic acid, methyl(1-phenylethyl)-, S-ethyl ester (CAS 93589-70-9) 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-methyl-N-(1-phenylethyl)carbamothioate
Also Known As: S-Ethyl methyl(1-phenylethyl)carbamothioate, S-Ethyl methyl(1-phenylethyl) carbamothioate, S-ethyl N-methyl-N-(1-phenylethyl)carbamothioate, 1-ethylsulfanyl-N-methyl-N-(1-phenylethyl)formamide, Carbamothioic acid, methyl(1-phenylethyl)-, S-ethyl ester
| 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 | 4 |
| Exact Mass | 223.10309 |
| Heavy Atoms | 15 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 93589-70-9 |
|---|---|
| SMILES | CCSC(=O)N(C)C(C)C1=CC=CC=C1 |
| InChIKey | OKMDFMBLZMQDGV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamothioic acid, methyl(1-phenylethyl)-, S-ethyl ester (CAS 93589-70-9), with molecular formula C12H17NOS and molecular weight 223.10 g/mol. IUPAC: S-ethyl N-methyl-N-(1-phenylethyl)carbamothioate.
Chemical Property Profile of Carbamothioic acid, methyl(1-phenylethyl)-, S-ethyl ester
Property Insights of Carbamothioic acid, methyl(1-phenylethyl)-, S-ethyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamothioic acid, methyl(1-phenylethyl)-, S-ethyl ester. With a topological polar surface area (TPSA) of 45.6 Ų, Carbamothioic acid, methyl(1-phenylethyl)-, S-ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamothioic acid, methyl(1-phenylethyl)-, S-ethyl ester 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 Carbamothioic acid, methyl(1-phenylethyl)-, S-ethyl ester?
The CAS number of Carbamothioic acid, methyl(1-phenylethyl)-, S-ethyl ester is 93589-70-9.
What is the molecular formula of Carbamothioic acid, methyl(1-phenylethyl)-, S-ethyl ester?
The molecular formula of Carbamothioic acid, methyl(1-phenylethyl)-, S-ethyl ester is C12H17NOS.
What is the molecular weight of Carbamothioic acid, methyl(1-phenylethyl)-, S-ethyl ester?
The molecular weight of Carbamothioic acid, methyl(1-phenylethyl)-, S-ethyl ester is 223.10 g/mol.
Where can I buy Carbamothioic acid, methyl(1-phenylethyl)-, S-ethyl ester?
You can request a quote for Carbamothioic acid, methyl(1-phenylethyl)-, S-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamothioic acid, methyl(1-phenylethyl)-, S-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamothioic acid, methyl(1-phenylethyl)-, S-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.