Carbamothioic acid, methyl(1-phenylethyl)-, S-propyl ester
TL;DR: Carbamothioic acid, methyl(1-phenylethyl)-, S-propyl ester (CAS 93589-79-8) is a chemical compound with molecular formula C13H19NOS and molecular weight 237.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-propyl N-methyl-N-(1-phenylethyl)carbamothioate
Also Known As: S-Propyl methyl(1-phenylethyl)carbamothioate, S-propyl N-methyl-N-(1-phenylethyl)carbamothioate, Carbamothioic acid, methyl(1-phenylethyl)-, S-propyl ester, N-methyl-N-(1-phenylethyl)-1-propylsulfanyl-formamide, Carbamothioic acid, methyl(1-phenylethyl)-, S-propyl ester (9CI)
| Molecular Formula | C13H19NOS |
|---|---|
| Molecular Weight | 237.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 237.11873 |
| Heavy Atoms | 16 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 93589-79-8 |
|---|---|
| SMILES | CCCSC(=O)N(C)C(C)C1=CC=CC=C1 |
| InChIKey | PBEBWQXMSQKLMS-UHFFFAOYSA-N |
Product Overview
Carbamothioic acid, methyl(1-phenylethyl)-, S-propyl ester (CAS 93589-79-8), with molecular formula C13H19NOS and molecular weight 237.12 g/mol. IUPAC: S-propyl N-methyl-N-(1-phenylethyl)carbamothioate.
Chemical Property Profile of Carbamothioic acid, methyl(1-phenylethyl)-, S-propyl ester
Property Insights of Carbamothioic acid, methyl(1-phenylethyl)-, S-propyl ester
The XLogP value of 3.5 indicates that Carbamothioic acid, methyl(1-phenylethyl)-, S-propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, Carbamothioic acid, methyl(1-phenylethyl)-, S-propyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamothioic acid, methyl(1-phenylethyl)-, S-propyl 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-propyl ester?
The CAS number of Carbamothioic acid, methyl(1-phenylethyl)-, S-propyl ester is 93589-79-8.
What is the molecular formula of Carbamothioic acid, methyl(1-phenylethyl)-, S-propyl ester?
The molecular formula of Carbamothioic acid, methyl(1-phenylethyl)-, S-propyl ester is C13H19NOS.
What is the molecular weight of Carbamothioic acid, methyl(1-phenylethyl)-, S-propyl ester?
The molecular weight of Carbamothioic acid, methyl(1-phenylethyl)-, S-propyl ester is 237.12 g/mol.
Where can I buy Carbamothioic acid, methyl(1-phenylethyl)-, S-propyl ester?
You can request a quote for Carbamothioic acid, methyl(1-phenylethyl)-, S-propyl 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-propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamothioic acid, methyl(1-phenylethyl)-, S-propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.