1-(3-Methyl-1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylurea
TL;DR: 1-(3-Methyl-1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylurea (CAS 425679-85-2) 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-(3-methyl-1,1-dioxothiolan-3-yl)-3-phenylurea
Also Known As: 1-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylurea, 1-(3-methyl-1,1-dioxothiolan-3-yl)-3-phenylurea, N-(3-methyl-1,1-dioxothiolan-3-yl)(phenylamino)carboxamide, 1-(3-Methyl-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-3-phenyl-urea
| Molecular Formula | C12H16N2O3S |
|---|---|
| Molecular Weight | 268.09 g/mol |
| LogP | 1.3853 |
| Topological Polar Surface Area | 75.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.08817 |
| Heavy Atoms | 18 |
| Complexity | 541.70074 |
Chemical Identifiers
| CAS Number | 425679-85-2 |
|---|---|
| SMILES | CC1(CCS(=O)(=O)C1)NC(=O)NC2=CC=CC=C2 |
Product Overview
1-(3-Methyl-1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylurea (CAS 425679-85-2), with molecular formula C12H16N2O3S and molecular weight 268.09 g/mol. IUPAC: 1-(3-methyl-1,1-dioxothiolan-3-yl)-3-phenylurea.
Chemical Property Profile of 1-(3-Methyl-1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylurea
Property Insights of 1-(3-Methyl-1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylurea
The XLogP value of 1.3853 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Methyl-1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylurea. The TPSA of 75.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Methyl-1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylurea. Following Lipinski's Rule of Five, 1-(3-Methyl-1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylurea 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 1-(3-Methyl-1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylurea?
The CAS number of 1-(3-Methyl-1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylurea is 425679-85-2.
What is the molecular formula of 1-(3-Methyl-1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylurea?
The molecular formula of 1-(3-Methyl-1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylurea is C12H16N2O3S.
What is the molecular weight of 1-(3-Methyl-1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylurea?
The molecular weight of 1-(3-Methyl-1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylurea is 268.09 g/mol.
Where can I buy 1-(3-Methyl-1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylurea?
You can request a quote for 1-(3-Methyl-1,1-dioxidotetrahydrothiophen-3-yl)-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-(3-Methyl-1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methyl-1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.