3-Sulfamoylbenzene-1-carbothioamide
TL;DR: 3-Sulfamoylbenzene-1-carbothioamide (CAS 56542-68-8) is a chemical compound with molecular formula C7H8N2O2S2 and molecular weight 216.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-sulfamoylbenzenecarbothioamide
Also Known As: 3-sulfamoylbenzene-1-carbothioamide, 3-sulfamoylbenzenecarbothioamide, 3-(aminosulfonyl)benzenecarbothioamide, 3-sulfamoylbenzenecarboximidothioic acid
| Molecular Formula | C7H8N2O2S2 |
|---|---|
| Molecular Weight | 216.00 g/mol |
| LogP | -0.0318 |
| Topological Polar Surface Area | 86.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.00272 |
| Heavy Atoms | 13 |
| Complexity | 439.5607 |
Chemical Identifiers
| CAS Number | 56542-68-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)N)C(=S)N |
Product Overview
3-Sulfamoylbenzene-1-carbothioamide (CAS 56542-68-8), with molecular formula C7H8N2O2S2 and molecular weight 216.00 g/mol. IUPAC: 3-sulfamoylbenzenecarbothioamide.
Chemical Property Profile of 3-Sulfamoylbenzene-1-carbothioamide
Property Insights of 3-Sulfamoylbenzene-1-carbothioamide
The XLogP value of -0.0318 indicates that 3-Sulfamoylbenzene-1-carbothioamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Sulfamoylbenzene-1-carbothioamide. Following Lipinski's Rule of Five, 3-Sulfamoylbenzene-1-carbothioamide 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-Sulfamoylbenzene-1-carbothioamide?
The CAS number of 3-Sulfamoylbenzene-1-carbothioamide is 56542-68-8.
What is the molecular formula of 3-Sulfamoylbenzene-1-carbothioamide?
The molecular formula of 3-Sulfamoylbenzene-1-carbothioamide is C7H8N2O2S2.
What is the molecular weight of 3-Sulfamoylbenzene-1-carbothioamide?
The molecular weight of 3-Sulfamoylbenzene-1-carbothioamide is 216.00 g/mol.
Where can I buy 3-Sulfamoylbenzene-1-carbothioamide?
You can request a quote for 3-Sulfamoylbenzene-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Sulfamoylbenzene-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Sulfamoylbenzene-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.