3-(Prop-2-yn-1-ylsulfanyl)phenyl methylcarbamate
TL;DR: 3-(Prop-2-yn-1-ylsulfanyl)phenyl methylcarbamate (CAS 3938-26-9) is a chemical compound with molecular formula C11H11NO2S and molecular weight 221.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-prop-2-ynylsulfanylphenyl) N-methylcarbamate
Also Known As: 3-(prop-2-yn-1-ylsulfanyl)phenyl methylcarbamate, (3-prop-2-ynylsulfanylphenyl) N-methylcarbamate, 3-(prop-2-yn-1-ylthio)phenyl methylcarbamate, 3-[(Prop-2-yn-1-yl)sulfanyl]phenyl methylcarbamate
| Molecular Formula | C11H11NO2S |
|---|---|
| Molecular Weight | 221.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.05106 |
| Heavy Atoms | 15 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 3938-26-9 |
|---|---|
| SMILES | CNC(=O)OC1=CC(=CC=C1)SCC#C |
| InChIKey | UNOPGNJKQODKRF-UHFFFAOYSA-N |
Product Overview
3-(Prop-2-yn-1-ylsulfanyl)phenyl methylcarbamate (CAS 3938-26-9), with molecular formula C11H11NO2S and molecular weight 221.05 g/mol. IUPAC: (3-prop-2-ynylsulfanylphenyl) N-methylcarbamate.
Chemical Property Profile of 3-(Prop-2-yn-1-ylsulfanyl)phenyl methylcarbamate
Property Insights of 3-(Prop-2-yn-1-ylsulfanyl)phenyl methylcarbamate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Prop-2-yn-1-ylsulfanyl)phenyl methylcarbamate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Prop-2-yn-1-ylsulfanyl)phenyl methylcarbamate. Following Lipinski's Rule of Five, 3-(Prop-2-yn-1-ylsulfanyl)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-(Prop-2-yn-1-ylsulfanyl)phenyl methylcarbamate?
The CAS number of 3-(Prop-2-yn-1-ylsulfanyl)phenyl methylcarbamate is 3938-26-9.
What is the molecular formula of 3-(Prop-2-yn-1-ylsulfanyl)phenyl methylcarbamate?
The molecular formula of 3-(Prop-2-yn-1-ylsulfanyl)phenyl methylcarbamate is C11H11NO2S.
What is the molecular weight of 3-(Prop-2-yn-1-ylsulfanyl)phenyl methylcarbamate?
The molecular weight of 3-(Prop-2-yn-1-ylsulfanyl)phenyl methylcarbamate is 221.05 g/mol.
Where can I buy 3-(Prop-2-yn-1-ylsulfanyl)phenyl methylcarbamate?
You can request a quote for 3-(Prop-2-yn-1-ylsulfanyl)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-(Prop-2-yn-1-ylsulfanyl)phenyl methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Prop-2-yn-1-ylsulfanyl)phenyl methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.