Acetonitrile, ((2-(((methylamino)carbonyl)oxy)phenyl)thio)-
TL;DR: Acetonitrile, ((2-(((methylamino)carbonyl)oxy)phenyl)thio)- (CAS 52174-02-4) is a chemical compound with molecular formula C10H10N2O2S and molecular weight 222.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(cyanomethylsulfanyl)phenyl] N-methylcarbamate
Also Known As: ACETONITRILE, ((2-(((METHYLAMINO)CARBONYL)OXY)PHENYL)THIO)-, ((2-(((Methylamino)carbonyl)oxy)phenyl)thio)acetonitrile, [2-(cyanomethylsulfanyl)phenyl] N-methylcarbamate, 2-[(Cyanomethyl)sulfanyl]phenyl methylcarbamate, BRN 2277785
| Molecular Formula | C10H10N2O2S |
|---|---|
| Molecular Weight | 222.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 87.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.0463 |
| Heavy Atoms | 15 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 52174-02-4 |
|---|---|
| SMILES | CNC(=O)OC1=CC=CC=C1SCC#N |
| InChIKey | NPIRJCCMANMYPD-UHFFFAOYSA-N |
Product Overview
Acetonitrile, ((2-(((methylamino)carbonyl)oxy)phenyl)thio)- (CAS 52174-02-4), with molecular formula C10H10N2O2S and molecular weight 222.05 g/mol. IUPAC: [2-(cyanomethylsulfanyl)phenyl] N-methylcarbamate.
Chemical Property Profile of Acetonitrile, ((2-(((methylamino)carbonyl)oxy)phenyl)thio)-
Property Insights of Acetonitrile, ((2-(((methylamino)carbonyl)oxy)phenyl)thio)-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetonitrile, ((2-(((methylamino)carbonyl)oxy)phenyl)thio)-. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetonitrile, ((2-(((methylamino)carbonyl)oxy)phenyl)thio)-. Following Lipinski's Rule of Five, Acetonitrile, ((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 Acetonitrile, ((2-(((methylamino)carbonyl)oxy)phenyl)thio)-?
The CAS number of Acetonitrile, ((2-(((methylamino)carbonyl)oxy)phenyl)thio)- is 52174-02-4.
What is the molecular formula of Acetonitrile, ((2-(((methylamino)carbonyl)oxy)phenyl)thio)-?
The molecular formula of Acetonitrile, ((2-(((methylamino)carbonyl)oxy)phenyl)thio)- is C10H10N2O2S.
What is the molecular weight of Acetonitrile, ((2-(((methylamino)carbonyl)oxy)phenyl)thio)-?
The molecular weight of Acetonitrile, ((2-(((methylamino)carbonyl)oxy)phenyl)thio)- is 222.05 g/mol.
Where can I buy Acetonitrile, ((2-(((methylamino)carbonyl)oxy)phenyl)thio)-?
You can request a quote for Acetonitrile, ((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 Acetonitrile, ((2-(((methylamino)carbonyl)oxy)phenyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Acetonitrile, ((2-(((methylamino)carbonyl)oxy)phenyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.