3-(Methylsulfanyl)phenyl methylcarbamate
TL;DR: 3-(Methylsulfanyl)phenyl methylcarbamate (CAS 39664-33-0) is a chemical compound with molecular formula C9H11NO2S and molecular weight 197.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylsulfanylphenyl) N-methylcarbamate
Also Known As: 3-(methylsulfanyl)phenyl methylcarbamate, (3-methylsulfanylphenyl) N-methylcarbamate, 3-(Methylthio)-phenyl-methyl-carbamat, Phenol,3-(methylthio)-, 1-(N-methylcarbamate), RefChem:275709
| Molecular Formula | C9H11NO2S |
|---|---|
| Molecular Weight | 197.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.05106 |
| Heavy Atoms | 13 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 39664-33-0 |
|---|---|
| SMILES | CNC(=O)OC1=CC(=CC=C1)SC |
| InChIKey | HXAFVRKJWYFPPF-UHFFFAOYSA-N |
Product Overview
3-(Methylsulfanyl)phenyl methylcarbamate (CAS 39664-33-0), with molecular formula C9H11NO2S and molecular weight 197.05 g/mol. IUPAC: (3-methylsulfanylphenyl) N-methylcarbamate.
Chemical Property Profile of 3-(Methylsulfanyl)phenyl methylcarbamate
Property Insights of 3-(Methylsulfanyl)phenyl methylcarbamate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Methylsulfanyl)phenyl methylcarbamate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Methylsulfanyl)phenyl methylcarbamate. Following Lipinski's Rule of Five, 3-(Methylsulfanyl)phenyl 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 3-(Methylsulfanyl)phenyl methylcarbamate?
The CAS number of 3-(Methylsulfanyl)phenyl methylcarbamate is 39664-33-0.
What is the molecular formula of 3-(Methylsulfanyl)phenyl methylcarbamate?
The molecular formula of 3-(Methylsulfanyl)phenyl methylcarbamate is C9H11NO2S.
What is the molecular weight of 3-(Methylsulfanyl)phenyl methylcarbamate?
The molecular weight of 3-(Methylsulfanyl)phenyl methylcarbamate is 197.05 g/mol.
Where can I buy 3-(Methylsulfanyl)phenyl methylcarbamate?
You can request a quote for 3-(Methylsulfanyl)phenyl methylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methylsulfanyl)phenyl methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methylsulfanyl)phenyl methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.