O-ethyl 4-(phenylsulfamoyl)benzenecarbothioate
TL;DR: O-ethyl 4-(phenylsulfamoyl)benzenecarbothioate (CAS 56768-69-5) is a chemical compound with molecular formula C15H15NO3S2 and molecular weight 321.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl 4-(phenylsulfamoyl)benzenecarbothioate
Also Known As: O-ethyl 4-(phenylsulfamoyl)benzenecarbothioate, O-Ethyl 4-(phenylsulfamoyl)benzene-1-carbothioate, RefChem:366443
| Molecular Formula | C15H15NO3S2 |
|---|---|
| Molecular Weight | 321.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.04935 |
| Heavy Atoms | 21 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 56768-69-5 |
|---|---|
| SMILES | CCOC(=S)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2 |
| InChIKey | NYGDMUMQYZZHIO-UHFFFAOYSA-N |
Product Overview
O-ethyl 4-(phenylsulfamoyl)benzenecarbothioate (CAS 56768-69-5), with molecular formula C15H15NO3S2 and molecular weight 321.05 g/mol. IUPAC: O-ethyl 4-(phenylsulfamoyl)benzenecarbothioate.
Chemical Property Profile of O-ethyl 4-(phenylsulfamoyl)benzenecarbothioate
Property Insights of O-ethyl 4-(phenylsulfamoyl)benzenecarbothioate
The XLogP value of 3.1 indicates that O-ethyl 4-(phenylsulfamoyl)benzenecarbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for O-ethyl 4-(phenylsulfamoyl)benzenecarbothioate. Following Lipinski's Rule of Five, O-ethyl 4-(phenylsulfamoyl)benzenecarbothioate has 1 hydrogen bond donor(s) and 5 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 O-ethyl 4-(phenylsulfamoyl)benzenecarbothioate?
The CAS number of O-ethyl 4-(phenylsulfamoyl)benzenecarbothioate is 56768-69-5.
What is the molecular formula of O-ethyl 4-(phenylsulfamoyl)benzenecarbothioate?
The molecular formula of O-ethyl 4-(phenylsulfamoyl)benzenecarbothioate is C15H15NO3S2.
What is the molecular weight of O-ethyl 4-(phenylsulfamoyl)benzenecarbothioate?
The molecular weight of O-ethyl 4-(phenylsulfamoyl)benzenecarbothioate is 321.05 g/mol.
Where can I buy O-ethyl 4-(phenylsulfamoyl)benzenecarbothioate?
You can request a quote for O-ethyl 4-(phenylsulfamoyl)benzenecarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-ethyl 4-(phenylsulfamoyl)benzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for O-ethyl 4-(phenylsulfamoyl)benzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.