1-(1,1-Dioxothiolan-3-yl)-3-(2-methylphenyl)urea
TL;DR: 1-(1,1-Dioxothiolan-3-yl)-3-(2-methylphenyl)urea (CAS 630065-19-9) 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)-3-(2-methylphenyl)urea
Also Known As: 1-(1,1-dioxothiolan-3-yl)-3-(2-methylphenyl)urea, BAS 07786629, VU0494401-1, 1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(o-tolyl)urea, 1-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-3-o-tolyl-urea
| Molecular Formula | C12H16N2O3S |
|---|---|
| Molecular Weight | 268.09 g/mol |
| LogP | 1.30362 |
| 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 | 554.19586 |
Chemical Identifiers
| CAS Number | 630065-19-9 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)NC2CCS(=O)(=O)C2 |
Product Overview
1-(1,1-Dioxothiolan-3-yl)-3-(2-methylphenyl)urea (CAS 630065-19-9), with molecular formula C12H16N2O3S and molecular weight 268.09 g/mol. IUPAC: 1-(1,1-dioxothiolan-3-yl)-3-(2-methylphenyl)urea.
Chemical Property Profile of 1-(1,1-Dioxothiolan-3-yl)-3-(2-methylphenyl)urea
Property Insights of 1-(1,1-Dioxothiolan-3-yl)-3-(2-methylphenyl)urea
The XLogP value of 1.30362 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,1-Dioxothiolan-3-yl)-3-(2-methylphenyl)urea. The TPSA of 75.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,1-Dioxothiolan-3-yl)-3-(2-methylphenyl)urea. Following Lipinski's Rule of Five, 1-(1,1-Dioxothiolan-3-yl)-3-(2-methylphenyl)urea 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-(1,1-Dioxothiolan-3-yl)-3-(2-methylphenyl)urea?
The CAS number of 1-(1,1-Dioxothiolan-3-yl)-3-(2-methylphenyl)urea is 630065-19-9.
What is the molecular formula of 1-(1,1-Dioxothiolan-3-yl)-3-(2-methylphenyl)urea?
The molecular formula of 1-(1,1-Dioxothiolan-3-yl)-3-(2-methylphenyl)urea is C12H16N2O3S.
What is the molecular weight of 1-(1,1-Dioxothiolan-3-yl)-3-(2-methylphenyl)urea?
The molecular weight of 1-(1,1-Dioxothiolan-3-yl)-3-(2-methylphenyl)urea is 268.09 g/mol.
Where can I buy 1-(1,1-Dioxothiolan-3-yl)-3-(2-methylphenyl)urea?
You can request a quote for 1-(1,1-Dioxothiolan-3-yl)-3-(2-methylphenyl)urea 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-Dioxothiolan-3-yl)-3-(2-methylphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,1-Dioxothiolan-3-yl)-3-(2-methylphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.