![O-ethyl 3-[(4-methylphenyl)sulfamoyl]benzenecarbothioate structure](/static/products/5654/56542-85-9.webp)
O-ethyl 3-[(4-methylphenyl)sulfamoyl]benzenecarbothioate
TL;DR: O-ethyl 3-[(4-methylphenyl)sulfamoyl]benzenecarbothioate (CAS 56542-85-9) is a chemical compound with molecular formula C16H17NO3S2 and molecular weight 335.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl 3-[(4-methylphenyl)sulfamoyl]benzenecarbothioate
Also Known As: O-ethyl 3-[(4-methylphenyl)sulfamoyl]benzenecarbothioate, O-Ethyl 3-[(4-methylphenyl)sulfamoyl]benzene-1-carbothioate
| Molecular Formula | C16H17NO3S2 |
|---|---|
| Molecular Weight | 335.06 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.06497 |
| Heavy Atoms | 22 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 56542-85-9 |
|---|---|
| SMILES | CCOC(=S)C1=CC(=CC=C1)S(=O)(=O)NC2=CC=C(C=C2)C |
| InChIKey | NCUGCHXPMCEJNW-UHFFFAOYSA-N |
Product Overview
O-ethyl 3-[(4-methylphenyl)sulfamoyl]benzenecarbothioate (CAS 56542-85-9), with molecular formula C16H17NO3S2 and molecular weight 335.06 g/mol. IUPAC: O-ethyl 3-[(4-methylphenyl)sulfamoyl]benzenecarbothioate.
Chemical Property Profile of O-ethyl 3-[(4-methylphenyl)sulfamoyl]benzenecarbothioate
Property Insights of O-ethyl 3-[(4-methylphenyl)sulfamoyl]benzenecarbothioate
The XLogP value of 3.6 indicates that O-ethyl 3-[(4-methylphenyl)sulfamoyl]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 3-[(4-methylphenyl)sulfamoyl]benzenecarbothioate. Following Lipinski's Rule of Five, O-ethyl 3-[(4-methylphenyl)sulfamoyl]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 3-[(4-methylphenyl)sulfamoyl]benzenecarbothioate?
The CAS number of O-ethyl 3-[(4-methylphenyl)sulfamoyl]benzenecarbothioate is 56542-85-9.
What is the molecular formula of O-ethyl 3-[(4-methylphenyl)sulfamoyl]benzenecarbothioate?
The molecular formula of O-ethyl 3-[(4-methylphenyl)sulfamoyl]benzenecarbothioate is C16H17NO3S2.
What is the molecular weight of O-ethyl 3-[(4-methylphenyl)sulfamoyl]benzenecarbothioate?
The molecular weight of O-ethyl 3-[(4-methylphenyl)sulfamoyl]benzenecarbothioate is 335.06 g/mol.
Where can I buy O-ethyl 3-[(4-methylphenyl)sulfamoyl]benzenecarbothioate?
You can request a quote for O-ethyl 3-[(4-methylphenyl)sulfamoyl]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 3-[(4-methylphenyl)sulfamoyl]benzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for O-ethyl 3-[(4-methylphenyl)sulfamoyl]benzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.