O-ethyl 4-sulfamoylbenzenecarbothioate
TL;DR: O-ethyl 4-sulfamoylbenzenecarbothioate (CAS 56236-76-1) is a chemical compound with molecular formula C9H11NO3S2 and molecular weight 245.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl 4-sulfamoylbenzenecarbothioate
Also Known As: O-ethyl 4-sulfamoylbenzenecarbothioate, O-Ethyl 4-sulfamoylbenzene-1-carbothioate, Benzenecarbothioic acid, 4-(aminosulfonyl)-, O-ethyl ester
| Molecular Formula | C9H11NO3S2 |
|---|---|
| Molecular Weight | 245.02 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.01804 |
| Heavy Atoms | 15 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 56236-76-1 |
|---|---|
| SMILES | CCOC(=S)C1=CC=C(C=C1)S(=O)(=O)N |
| InChIKey | NERSLKARRQELQG-UHFFFAOYSA-N |
Product Overview
O-ethyl 4-sulfamoylbenzenecarbothioate (CAS 56236-76-1), with molecular formula C9H11NO3S2 and molecular weight 245.02 g/mol. IUPAC: O-ethyl 4-sulfamoylbenzenecarbothioate.
Chemical Property Profile of O-ethyl 4-sulfamoylbenzenecarbothioate
Property Insights of O-ethyl 4-sulfamoylbenzenecarbothioate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-ethyl 4-sulfamoylbenzenecarbothioate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for O-ethyl 4-sulfamoylbenzenecarbothioate. Following Lipinski's Rule of Five, O-ethyl 4-sulfamoylbenzenecarbothioate 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-sulfamoylbenzenecarbothioate?
The CAS number of O-ethyl 4-sulfamoylbenzenecarbothioate is 56236-76-1.
What is the molecular formula of O-ethyl 4-sulfamoylbenzenecarbothioate?
The molecular formula of O-ethyl 4-sulfamoylbenzenecarbothioate is C9H11NO3S2.
What is the molecular weight of O-ethyl 4-sulfamoylbenzenecarbothioate?
The molecular weight of O-ethyl 4-sulfamoylbenzenecarbothioate is 245.02 g/mol.
Where can I buy O-ethyl 4-sulfamoylbenzenecarbothioate?
You can request a quote for O-ethyl 4-sulfamoylbenzenecarbothioate 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-sulfamoylbenzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for O-ethyl 4-sulfamoylbenzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.