4-(Ethylthio)phenyl N-methylcarbamate
TL;DR: 4-(Ethylthio)phenyl N-methylcarbamate (CAS 21602-50-6) is a chemical compound with molecular formula C10H13NO2S and molecular weight 211.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethylsulfanylphenyl) N-methylcarbamate
Also Known As: Toxamate, EMPC, p-(Ethylthio)phenyl methylcarbamate, 4-(ethylthio)phenyl methylcarbamate, 4-(Ethylthio)phenol methylcarbamate
| Molecular Formula | C10H13NO2S |
|---|---|
| Molecular Weight | 211.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 211.0667 |
| Heavy Atoms | 14 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 21602-50-6 |
|---|---|
| SMILES | CCSC1=CC=C(C=C1)OC(=O)NC |
| InChIKey | OZJCQBUSEOVJOW-UHFFFAOYSA-N |
Product Overview
4-(Ethylthio)phenyl N-methylcarbamate (CAS 21602-50-6), with molecular formula C10H13NO2S and molecular weight 211.07 g/mol. IUPAC: (4-ethylsulfanylphenyl) N-methylcarbamate.
Chemical Property Profile of 4-(Ethylthio)phenyl N-methylcarbamate
Property Insights of 4-(Ethylthio)phenyl N-methylcarbamate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Ethylthio)phenyl N-methylcarbamate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Ethylthio)phenyl N-methylcarbamate. Following Lipinski's Rule of Five, 4-(Ethylthio)phenyl N-methylcarbamate has 1 hydrogen bond donor(s) and 3 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 4-(Ethylthio)phenyl N-methylcarbamate?
The CAS number of 4-(Ethylthio)phenyl N-methylcarbamate is 21602-50-6.
What is the molecular formula of 4-(Ethylthio)phenyl N-methylcarbamate?
The molecular formula of 4-(Ethylthio)phenyl N-methylcarbamate is C10H13NO2S.
What is the molecular weight of 4-(Ethylthio)phenyl N-methylcarbamate?
The molecular weight of 4-(Ethylthio)phenyl N-methylcarbamate is 211.07 g/mol.
Where can I buy 4-(Ethylthio)phenyl N-methylcarbamate?
You can request a quote for 4-(Ethylthio)phenyl N-methylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Ethylthio)phenyl N-methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Ethylthio)phenyl N-methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.