![1-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methylthiourea structure](/static/products/4523/452320-26-2.webp)
1-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methylthiourea
TL;DR: 1-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methylthiourea (CAS 452320-26-2) is a chemical compound with molecular formula C12H16N4O2S2 and molecular weight 312.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methylthiourea
Also Known As: 1-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methylthiourea, 1-[3-(4,5-dihydro-3H-pyrrol-2-ylsulfamoyl)phenyl]-3-methyl-thiourea, N-(3,4-Dihydro-2H-pyrrol-5-yl)-3-[(methylcarbamothioyl)amino]benzene-1-sulfonamide
| Molecular Formula | C12H16N4O2S2 |
|---|---|
| Molecular Weight | 312.07 g/mol |
| LogP | 1.0734 |
| Topological Polar Surface Area | 82.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.07147 |
| Heavy Atoms | 20 |
| Complexity | 640.61237 |
Chemical Identifiers
| CAS Number | 452320-26-2 |
|---|---|
| SMILES | CNC(=S)NC1=CC(=CC=C1)S(=O)(=O)NC2=NCCC2 |
Product Overview
1-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methylthiourea (CAS 452320-26-2), with molecular formula C12H16N4O2S2 and molecular weight 312.07 g/mol. IUPAC: 1-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methylthiourea.
Chemical Property Profile of 1-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methylthiourea
Property Insights of 1-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methylthiourea
The XLogP value of 1.0734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methylthiourea. The TPSA of 82.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methylthiourea. Following Lipinski's Rule of Five, 1-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methylthiourea has 3 hydrogen bond donor(s) and 4 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 1-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methylthiourea?
The CAS number of 1-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methylthiourea is 452320-26-2.
What is the molecular formula of 1-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methylthiourea?
The molecular formula of 1-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methylthiourea is C12H16N4O2S2.
What is the molecular weight of 1-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methylthiourea?
The molecular weight of 1-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methylthiourea is 312.07 g/mol.
Where can I buy 1-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methylthiourea?
You can request a quote for 1-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.