Propanenitrile, 2-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-
TL;DR: Propanenitrile, 2-((2-(((methylamino)carbonyl)oxy)phenyl)thio)- (CAS 52174-03-5) is a chemical compound with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1-cyanoethylsulfanyl)phenyl] N-methylcarbamate
Also Known As: 2-((2-(((Methylamino)carbonyl)oxy)phenyl)thio)propanenitrile, [2-(1-cyanoethylsulfanyl)phenyl] N-methylcarbamate, Propanenitrile, 2-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, 2-[(1-Cyanoethyl)sulfanyl]phenyl hydrogen methylcarbonimidate, BRN 2282964
| Molecular Formula | C11H12N2O2S |
|---|---|
| Molecular Weight | 236.06 g/mol |
| LogP | 2.40898 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.06195 |
| Heavy Atoms | 16 |
| Complexity | 414.69073 |
Chemical Identifiers
| CAS Number | 52174-03-5 |
|---|---|
| SMILES | CC(C#N)SC1=CC=CC=C1OC(=O)NC |
Product Overview
Propanenitrile, 2-((2-(((methylamino)carbonyl)oxy)phenyl)thio)- (CAS 52174-03-5), with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol. IUPAC: [2-(1-cyanoethylsulfanyl)phenyl] N-methylcarbamate.
Chemical Property Profile of Propanenitrile, 2-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-
Property Insights of Propanenitrile, 2-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-
The XLogP value of 2.40898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanenitrile, 2-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanenitrile, 2-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-. Following Lipinski's Rule of Five, Propanenitrile, 2-((2-(((methylamino)carbonyl)oxy)phenyl)thio)- 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 Propanenitrile, 2-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-?
The CAS number of Propanenitrile, 2-((2-(((methylamino)carbonyl)oxy)phenyl)thio)- is 52174-03-5.
What is the molecular formula of Propanenitrile, 2-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-?
The molecular formula of Propanenitrile, 2-((2-(((methylamino)carbonyl)oxy)phenyl)thio)- is C11H12N2O2S.
What is the molecular weight of Propanenitrile, 2-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-?
The molecular weight of Propanenitrile, 2-((2-(((methylamino)carbonyl)oxy)phenyl)thio)- is 236.06 g/mol.
Where can I buy Propanenitrile, 2-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-?
You can request a quote for Propanenitrile, 2-((2-(((methylamino)carbonyl)oxy)phenyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanenitrile, 2-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Propanenitrile, 2-((2-(((methylamino)carbonyl)oxy)phenyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.