Thiocyanic acid, 2,3-dimethyl-4-(((methylamino)carbonyl)oxy)phenyl ester
TL;DR: Thiocyanic acid, 2,3-dimethyl-4-(((methylamino)carbonyl)oxy)phenyl ester (CAS 2620-57-7) 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.
(2,3-dimethyl-4-thiocyanatophenyl) N-methylcarbamate
Also Known As: Carbamic acid, methyl-, 4-thiocyanato-2,3-xylyl ester, Thiocyanic acid, 2,3-dimethyl-4-(((methylamino)carbonyl)oxy)phenyl ester, 2,3-Dimethyl-4-(((methylamino)carbonyl)oxy)phenyl thiocyanate, (2,3-dimethyl-4-thiocyanatophenyl) N-methylcarbamate, 2,3-dimethyl-4-thiocyanatophenyl methylcarbamate
| Molecular Formula | C11H12N2O2S |
|---|---|
| Molecular Weight | 236.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 87.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.06195 |
| Heavy Atoms | 16 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 2620-57-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1C)SC#N)OC(=O)NC |
| InChIKey | SFJIVVKRQQQTSS-UHFFFAOYSA-N |
Product Overview
Thiocyanic acid, 2,3-dimethyl-4-(((methylamino)carbonyl)oxy)phenyl ester (CAS 2620-57-7), with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol. IUPAC: (2,3-dimethyl-4-thiocyanatophenyl) N-methylcarbamate.
Chemical Property Profile of Thiocyanic acid, 2,3-dimethyl-4-(((methylamino)carbonyl)oxy)phenyl ester
Property Insights of Thiocyanic acid, 2,3-dimethyl-4-(((methylamino)carbonyl)oxy)phenyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiocyanic acid, 2,3-dimethyl-4-(((methylamino)carbonyl)oxy)phenyl ester. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiocyanic acid, 2,3-dimethyl-4-(((methylamino)carbonyl)oxy)phenyl ester. Following Lipinski's Rule of Five, Thiocyanic acid, 2,3-dimethyl-4-(((methylamino)carbonyl)oxy)phenyl ester 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 Thiocyanic acid, 2,3-dimethyl-4-(((methylamino)carbonyl)oxy)phenyl ester?
The CAS number of Thiocyanic acid, 2,3-dimethyl-4-(((methylamino)carbonyl)oxy)phenyl ester is 2620-57-7.
What is the molecular formula of Thiocyanic acid, 2,3-dimethyl-4-(((methylamino)carbonyl)oxy)phenyl ester?
The molecular formula of Thiocyanic acid, 2,3-dimethyl-4-(((methylamino)carbonyl)oxy)phenyl ester is C11H12N2O2S.
What is the molecular weight of Thiocyanic acid, 2,3-dimethyl-4-(((methylamino)carbonyl)oxy)phenyl ester?
The molecular weight of Thiocyanic acid, 2,3-dimethyl-4-(((methylamino)carbonyl)oxy)phenyl ester is 236.06 g/mol.
Where can I buy Thiocyanic acid, 2,3-dimethyl-4-(((methylamino)carbonyl)oxy)phenyl ester?
You can request a quote for Thiocyanic acid, 2,3-dimethyl-4-(((methylamino)carbonyl)oxy)phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocyanic acid, 2,3-dimethyl-4-(((methylamino)carbonyl)oxy)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, 2,3-dimethyl-4-(((methylamino)carbonyl)oxy)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.