Propanenitrile, 2-methyl-2-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-
TL;DR: Propanenitrile, 2-methyl-2-((2-(((methylamino)carbonyl)oxy)phenyl)thio)- (CAS 52174-04-6) is a chemical compound with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-cyanopropan-2-ylsulfanyl)phenyl] N-methylcarbamate
Also Known As: Propanenitrile, 2-methyl-2-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, 2-Methyl-2-((2-(((methylamino)carbonyl)oxy)phenyl)thio)propanenitrile, [2-(2-cyanopropan-2-ylsulfanyl)phenyl] N-methylcarbamate, 2-[(2-Cyanopropan-2-yl)sulfanyl]phenyl methylcarbamate, BRN 2284890
| Molecular Formula | C12H14N2O2S |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 2.79908 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.0776 |
| Heavy Atoms | 17 |
| Complexity | 452.064 |
Chemical Identifiers
| CAS Number | 52174-04-6 |
|---|---|
| SMILES | CC(C)(C#N)SC1=CC=CC=C1OC(=O)NC |
Product Overview
Propanenitrile, 2-methyl-2-((2-(((methylamino)carbonyl)oxy)phenyl)thio)- (CAS 52174-04-6), with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol. IUPAC: [2-(2-cyanopropan-2-ylsulfanyl)phenyl] N-methylcarbamate.
Chemical Property Profile of Propanenitrile, 2-methyl-2-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-
Property Insights of Propanenitrile, 2-methyl-2-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-
The XLogP value of 2.79908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanenitrile, 2-methyl-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-methyl-2-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-. Following Lipinski's Rule of Five, Propanenitrile, 2-methyl-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-methyl-2-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-?
The CAS number of Propanenitrile, 2-methyl-2-((2-(((methylamino)carbonyl)oxy)phenyl)thio)- is 52174-04-6.
What is the molecular formula of Propanenitrile, 2-methyl-2-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-?
The molecular formula of Propanenitrile, 2-methyl-2-((2-(((methylamino)carbonyl)oxy)phenyl)thio)- is C12H14N2O2S.
What is the molecular weight of Propanenitrile, 2-methyl-2-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-?
The molecular weight of Propanenitrile, 2-methyl-2-((2-(((methylamino)carbonyl)oxy)phenyl)thio)- is 250.08 g/mol.
Where can I buy Propanenitrile, 2-methyl-2-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-?
You can request a quote for Propanenitrile, 2-methyl-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-methyl-2-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Propanenitrile, 2-methyl-2-((2-(((methylamino)carbonyl)oxy)phenyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.