3-(Methylsulfamoyl)benzenecarbothioamide
TL;DR: 3-(Methylsulfamoyl)benzenecarbothioamide (CAS 56596-71-5) is a chemical compound with molecular formula C8H10N2O2S2 and molecular weight 230.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(methylsulfamoyl)benzenecarbothioamide
Also Known As: m-Methylsulfamoyl-thiobenzamid, 3-(methylsulfamoyl)benzenecarbothioamide, 3-(N-methylsulfamoyl)benzothioamide, 3-(Methylsulfamoyl)benzene-1-carbothioamide, RefChem:275685
| Molecular Formula | C8H10N2O2S2 |
|---|---|
| Molecular Weight | 230.02 g/mol |
| LogP | 0.2289 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.01837 |
| Heavy Atoms | 14 |
| Complexity | 454.164 |
Chemical Identifiers
| CAS Number | 56596-71-5 |
|---|---|
| SMILES | CNS(=O)(=O)C1=CC=CC(=C1)C(=S)N |
Product Overview
3-(Methylsulfamoyl)benzenecarbothioamide (CAS 56596-71-5), with molecular formula C8H10N2O2S2 and molecular weight 230.02 g/mol. IUPAC: 3-(methylsulfamoyl)benzenecarbothioamide.
Chemical Property Profile of 3-(Methylsulfamoyl)benzenecarbothioamide
Property Insights of 3-(Methylsulfamoyl)benzenecarbothioamide
The XLogP value of 0.2289 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Methylsulfamoyl)benzenecarbothioamide. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Methylsulfamoyl)benzenecarbothioamide. Following Lipinski's Rule of Five, 3-(Methylsulfamoyl)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-(Methylsulfamoyl)benzenecarbothioamide?
The CAS number of 3-(Methylsulfamoyl)benzenecarbothioamide is 56596-71-5.
What is the molecular formula of 3-(Methylsulfamoyl)benzenecarbothioamide?
The molecular formula of 3-(Methylsulfamoyl)benzenecarbothioamide is C8H10N2O2S2.
What is the molecular weight of 3-(Methylsulfamoyl)benzenecarbothioamide?
The molecular weight of 3-(Methylsulfamoyl)benzenecarbothioamide is 230.02 g/mol.
Where can I buy 3-(Methylsulfamoyl)benzenecarbothioamide?
You can request a quote for 3-(Methylsulfamoyl)benzenecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methylsulfamoyl)benzenecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methylsulfamoyl)benzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.