O-ethyl 4-(tert-butylsulfamoyl)benzenecarbothioate
TL;DR: O-ethyl 4-(tert-butylsulfamoyl)benzenecarbothioate (CAS 56236-80-7) is a chemical compound with molecular formula C13H19NO3S2 and molecular weight 301.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl 4-(tert-butylsulfamoyl)benzenecarbothioate
Also Known As: O-ethyl 4-(tert-butylsulfamoyl)benzenecarbothioate, O-Ethyl 4-(tert-butylsulfamoyl)benzene-1-carbothioate, Benzenecarbothioic acid, 4-[[(1,1-dimethylethyl)amino]sulfonyl]-, O-ethyl ester
| Molecular Formula | C13H19NO3S2 |
|---|---|
| Molecular Weight | 301.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.08063 |
| Heavy Atoms | 19 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 56236-80-7 |
|---|---|
| SMILES | CCOC(=S)C1=CC=C(C=C1)S(=O)(=O)NC(C)(C)C |
| InChIKey | LQRUWPNQBWMMPL-UHFFFAOYSA-N |
Product Overview
O-ethyl 4-(tert-butylsulfamoyl)benzenecarbothioate (CAS 56236-80-7), with molecular formula C13H19NO3S2 and molecular weight 301.08 g/mol. IUPAC: O-ethyl 4-(tert-butylsulfamoyl)benzenecarbothioate.
Chemical Property Profile of O-ethyl 4-(tert-butylsulfamoyl)benzenecarbothioate
Property Insights of O-ethyl 4-(tert-butylsulfamoyl)benzenecarbothioate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-ethyl 4-(tert-butylsulfamoyl)benzenecarbothioate. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for O-ethyl 4-(tert-butylsulfamoyl)benzenecarbothioate. Following Lipinski's Rule of Five, O-ethyl 4-(tert-butylsulfamoyl)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-(tert-butylsulfamoyl)benzenecarbothioate?
The CAS number of O-ethyl 4-(tert-butylsulfamoyl)benzenecarbothioate is 56236-80-7.
What is the molecular formula of O-ethyl 4-(tert-butylsulfamoyl)benzenecarbothioate?
The molecular formula of O-ethyl 4-(tert-butylsulfamoyl)benzenecarbothioate is C13H19NO3S2.
What is the molecular weight of O-ethyl 4-(tert-butylsulfamoyl)benzenecarbothioate?
The molecular weight of O-ethyl 4-(tert-butylsulfamoyl)benzenecarbothioate is 301.08 g/mol.
Where can I buy O-ethyl 4-(tert-butylsulfamoyl)benzenecarbothioate?
You can request a quote for O-ethyl 4-(tert-butylsulfamoyl)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-(tert-butylsulfamoyl)benzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for O-ethyl 4-(tert-butylsulfamoyl)benzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.