Carbamic acid, phenethyldithio-, ethyl ester
TL;DR: Carbamic acid, phenethyldithio-, ethyl ester (CAS 16022-45-0) is a chemical compound with molecular formula C11H15NS2 and molecular weight 225.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(2-phenylethyl)carbamodithioate
Also Known As: Phenethyldithiocarbamic acid ethyl ester, ethyl N-phenethylcarbamodithioate, CARBAMIC ACID, PHENETHYLDITHIO-, ETHYL ESTER, Ethyl (2-phenylethyl)carbamodithioate, ethyl N-(2-phenylethyl)carbamodithioate
| Molecular Formula | C11H15NS2 |
|---|---|
| Molecular Weight | 225.06 g/mol |
| LogP | 2.8567 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 225.06459 |
| Heavy Atoms | 14 |
| Complexity | 271.87582 |
Chemical Identifiers
| CAS Number | 16022-45-0 |
|---|---|
| SMILES | CCSC(=S)NCCC1=CC=CC=C1 |
Product Overview
Carbamic acid, phenethyldithio-, ethyl ester (CAS 16022-45-0), with molecular formula C11H15NS2 and molecular weight 225.06 g/mol. IUPAC: ethyl N-(2-phenylethyl)carbamodithioate.
Chemical Property Profile of Carbamic acid, phenethyldithio-, ethyl ester
Property Insights of Carbamic acid, phenethyldithio-, ethyl ester
The XLogP value of 2.8567 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, phenethyldithio-, ethyl ester. With a topological polar surface area (TPSA) of 12.03 Ų, Carbamic acid, phenethyldithio-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, phenethyldithio-, ethyl ester has 1 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 Carbamic acid, phenethyldithio-, ethyl ester?
The CAS number of Carbamic acid, phenethyldithio-, ethyl ester is 16022-45-0.
What is the molecular formula of Carbamic acid, phenethyldithio-, ethyl ester?
The molecular formula of Carbamic acid, phenethyldithio-, ethyl ester is C11H15NS2.
What is the molecular weight of Carbamic acid, phenethyldithio-, ethyl ester?
The molecular weight of Carbamic acid, phenethyldithio-, ethyl ester is 225.06 g/mol.
Where can I buy Carbamic acid, phenethyldithio-, ethyl ester?
You can request a quote for Carbamic acid, phenethyldithio-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, phenethyldithio-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, phenethyldithio-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.