ethyl phenethylcarbamothioylsulfanylformate
TL;DR: ethyl phenethylcarbamothioylsulfanylformate (CAS 19457-13-7) is a chemical compound with molecular formula C12H15NO2S2 and molecular weight 269.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-phenylethylcarbamothioylsulfanylformate
Also Known As: ethyl phenethylcarbamothioylsulfanylformate, Carbonic acid, thio-, anhydrosulfide with phenethyldithiocarbamic acid, ethyl ester, ethyl 2-phenylethylcarbamothioylsulfanylformate, Thiocarbonic acid anhydrosulfide with phenethyldithiocarbamic acid ethyl ester, BRN 5958403
| Molecular Formula | C12H15NO2S2 |
|---|---|
| Molecular Weight | 269.05 g/mol |
| LogP | 2.9933 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.0544 |
| Heavy Atoms | 17 |
| Complexity | 368.0282 |
Chemical Identifiers
| CAS Number | 19457-13-7 |
|---|---|
| SMILES | CCOC(=O)SC(=S)NCCC1=CC=CC=C1 |
Product Overview
ethyl phenethylcarbamothioylsulfanylformate (CAS 19457-13-7), with molecular formula C12H15NO2S2 and molecular weight 269.05 g/mol. IUPAC: ethyl 2-phenylethylcarbamothioylsulfanylformate.
Chemical Property Profile of ethyl phenethylcarbamothioylsulfanylformate
Property Insights of ethyl phenethylcarbamothioylsulfanylformate
The XLogP value of 2.9933 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl phenethylcarbamothioylsulfanylformate. With a topological polar surface area (TPSA) of 38.33 Ų, ethyl phenethylcarbamothioylsulfanylformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl phenethylcarbamothioylsulfanylformate has 1 hydrogen bond donor(s) and 4 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 ethyl phenethylcarbamothioylsulfanylformate?
The CAS number of ethyl phenethylcarbamothioylsulfanylformate is 19457-13-7.
What is the molecular formula of ethyl phenethylcarbamothioylsulfanylformate?
The molecular formula of ethyl phenethylcarbamothioylsulfanylformate is C12H15NO2S2.
What is the molecular weight of ethyl phenethylcarbamothioylsulfanylformate?
The molecular weight of ethyl phenethylcarbamothioylsulfanylformate is 269.05 g/mol.
Where can I buy ethyl phenethylcarbamothioylsulfanylformate?
You can request a quote for ethyl phenethylcarbamothioylsulfanylformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl phenethylcarbamothioylsulfanylformate?
Yes, KEHONG BIO provides custom synthesis services for ethyl phenethylcarbamothioylsulfanylformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.