Phenyl (2-(phenylthio)ethyl)carbamate
TL;DR: Phenyl (2-(phenylthio)ethyl)carbamate (CAS 92850-97-0) is a chemical compound with molecular formula C15H15NO2S and molecular weight 273.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl N-(2-phenylsulfanylethyl)carbamate
Also Known As: Phenyl (2-(phenylthio)ethyl)carbamate, Phenyl [2-(phenylthio)ethyl]carbamate, Phenyl 2-(phenylsulfanyl)ethylcarbamate, Phenyl 2-(phenylsulfanyl)ethylcarbamate #, phenyl N-(2-phenylsulfanylethyl)carbamate
| Molecular Formula | C15H15NO2S |
|---|---|
| Molecular Weight | 273.08 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 273.08234 |
| Heavy Atoms | 19 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 92850-97-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)NCCSC2=CC=CC=C2 |
| InChIKey | IRGTVICFHSHISE-UHFFFAOYSA-N |
Product Overview
Phenyl (2-(phenylthio)ethyl)carbamate (CAS 92850-97-0), with molecular formula C15H15NO2S and molecular weight 273.08 g/mol. IUPAC: phenyl N-(2-phenylsulfanylethyl)carbamate.
Chemical Property Profile of Phenyl (2-(phenylthio)ethyl)carbamate
Property Insights of Phenyl (2-(phenylthio)ethyl)carbamate
The XLogP value of 3.7 indicates that Phenyl (2-(phenylthio)ethyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl (2-(phenylthio)ethyl)carbamate. Following Lipinski's Rule of Five, Phenyl (2-(phenylthio)ethyl)carbamate 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 Phenyl (2-(phenylthio)ethyl)carbamate?
The CAS number of Phenyl (2-(phenylthio)ethyl)carbamate is 92850-97-0.
What is the molecular formula of Phenyl (2-(phenylthio)ethyl)carbamate?
The molecular formula of Phenyl (2-(phenylthio)ethyl)carbamate is C15H15NO2S.
What is the molecular weight of Phenyl (2-(phenylthio)ethyl)carbamate?
The molecular weight of Phenyl (2-(phenylthio)ethyl)carbamate is 273.08 g/mol.
Where can I buy Phenyl (2-(phenylthio)ethyl)carbamate?
You can request a quote for Phenyl (2-(phenylthio)ethyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl (2-(phenylthio)ethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl (2-(phenylthio)ethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.