3-(Ethylsulfamoyl)benzenecarbothioamide
TL;DR: 3-(Ethylsulfamoyl)benzenecarbothioamide (CAS 56542-69-9) is a chemical compound with molecular formula C9H12N2O2S2 and molecular weight 244.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(ethylsulfamoyl)benzenecarbothioamide
Also Known As: m-Ethylsulfamoyl-thiobenzamid, 3-(ethylsulfamoyl)benzenecarbothioamide, 3-(N-ethylsulfamoyl)benzothioamide, 3-(Ethylsulfamoyl)benzene-1-carbothioamide, RefChem:275510
| Molecular Formula | C9H12N2O2S2 |
|---|---|
| Molecular Weight | 244.03 g/mol |
| LogP | 0.619 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.03403 |
| Heavy Atoms | 15 |
| Complexity | 468.7556 |
Chemical Identifiers
| CAS Number | 56542-69-9 |
|---|---|
| SMILES | CCNS(=O)(=O)C1=CC=CC(=C1)C(=S)N |
Product Overview
3-(Ethylsulfamoyl)benzenecarbothioamide (CAS 56542-69-9), with molecular formula C9H12N2O2S2 and molecular weight 244.03 g/mol. IUPAC: 3-(ethylsulfamoyl)benzenecarbothioamide.
Chemical Property Profile of 3-(Ethylsulfamoyl)benzenecarbothioamide
Property Insights of 3-(Ethylsulfamoyl)benzenecarbothioamide
The XLogP value of 0.619 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Ethylsulfamoyl)benzenecarbothioamide. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Ethylsulfamoyl)benzenecarbothioamide. Following Lipinski's Rule of Five, 3-(Ethylsulfamoyl)benzenecarbothioamide has 2 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 3-(Ethylsulfamoyl)benzenecarbothioamide?
The CAS number of 3-(Ethylsulfamoyl)benzenecarbothioamide is 56542-69-9.
What is the molecular formula of 3-(Ethylsulfamoyl)benzenecarbothioamide?
The molecular formula of 3-(Ethylsulfamoyl)benzenecarbothioamide is C9H12N2O2S2.
What is the molecular weight of 3-(Ethylsulfamoyl)benzenecarbothioamide?
The molecular weight of 3-(Ethylsulfamoyl)benzenecarbothioamide is 244.03 g/mol.
Where can I buy 3-(Ethylsulfamoyl)benzenecarbothioamide?
You can request a quote for 3-(Ethylsulfamoyl)benzenecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Ethylsulfamoyl)benzenecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(Ethylsulfamoyl)benzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.