1-(1,1-Dioxidotetrahydrothiophen-3-yl)-1-methyl-3-phenylurea
TL;DR: 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-1-methyl-3-phenylurea (CAS 425668-19-5) is a chemical compound with molecular formula C12H16N2O3S and molecular weight 268.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,1-dioxothiolan-3-yl)-1-methyl-3-phenylurea
Also Known As: BAS 05437960, 1-(1,1-dioxidotetrahydrothiophen-3-yl)-1-methyl-3-phenylurea, 1-(1,1-dioxothiolan-3-yl)-1-methyl-3-phenylurea, 1-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-1-methyl-3-phenyl-urea, N-(1-hydroxy-1-oxothiolan-3-yl)-N-methyl(phenylamino)carboxamide
| Molecular Formula | C12H16N2O3S |
|---|---|
| Molecular Weight | 268.09 g/mol |
| LogP | 1.3374 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.08817 |
| Heavy Atoms | 18 |
| Complexity | 527.5133 |
Chemical Identifiers
| CAS Number | 425668-19-5 |
|---|---|
| SMILES | CN(C1CCS(=O)(=O)C1)C(=O)NC2=CC=CC=C2 |
Product Overview
1-(1,1-Dioxidotetrahydrothiophen-3-yl)-1-methyl-3-phenylurea (CAS 425668-19-5), with molecular formula C12H16N2O3S and molecular weight 268.09 g/mol. IUPAC: 1-(1,1-dioxothiolan-3-yl)-1-methyl-3-phenylurea.
Chemical Property Profile of 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-1-methyl-3-phenylurea
Property Insights of 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-1-methyl-3-phenylurea
The XLogP value of 1.3374 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-1-methyl-3-phenylurea. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-1-methyl-3-phenylurea. Following Lipinski's Rule of Five, 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-1-methyl-3-phenylurea has 1 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 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-1-methyl-3-phenylurea?
The CAS number of 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-1-methyl-3-phenylurea is 425668-19-5.
What is the molecular formula of 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-1-methyl-3-phenylurea?
The molecular formula of 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-1-methyl-3-phenylurea is C12H16N2O3S.
What is the molecular weight of 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-1-methyl-3-phenylurea?
The molecular weight of 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-1-methyl-3-phenylurea is 268.09 g/mol.
Where can I buy 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-1-methyl-3-phenylurea?
You can request a quote for 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-1-methyl-3-phenylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-1-methyl-3-phenylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-1-methyl-3-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.