1-(1,1-Dioxothiolan-3-yl)-3-(4-methoxyphenyl)thiourea
TL;DR: 1-(1,1-Dioxothiolan-3-yl)-3-(4-methoxyphenyl)thiourea (CAS 507252-76-8) is a chemical compound with molecular formula C12H16N2O3S2 and molecular weight 300.06 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-(4-methoxyphenyl)thiourea
Also Known As: 1-(1,1-dioxothiolan-3-yl)-3-(4-methoxyphenyl)thiourea, 1-(1,1-dioxo-3-thiolanyl)-3-(4-methoxyphenyl)thiourea, 1-(1,1-diketothiolan-3-yl)-3-(4-methoxyphenyl)thiourea, 1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(4-methoxyphenyl)thiourea, N-(1,1-dioxidotetrahydro-3-thienyl)-N'-(4-methoxyphenyl)thiourea
| Molecular Formula | C12H16N2O3S2 |
|---|---|
| Molecular Weight | 300.06 g/mol |
| LogP | 1.1687 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.06024 |
| Heavy Atoms | 19 |
| Complexity | 554.84216 |
Chemical Identifiers
| CAS Number | 507252-76-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=S)NC2CCS(=O)(=O)C2 |
Product Overview
1-(1,1-Dioxothiolan-3-yl)-3-(4-methoxyphenyl)thiourea (CAS 507252-76-8), with molecular formula C12H16N2O3S2 and molecular weight 300.06 g/mol. IUPAC: 1-(1,1-dioxothiolan-3-yl)-3-(4-methoxyphenyl)thiourea.
Chemical Property Profile of 1-(1,1-Dioxothiolan-3-yl)-3-(4-methoxyphenyl)thiourea
Property Insights of 1-(1,1-Dioxothiolan-3-yl)-3-(4-methoxyphenyl)thiourea
The XLogP value of 1.1687 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,1-Dioxothiolan-3-yl)-3-(4-methoxyphenyl)thiourea. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,1-Dioxothiolan-3-yl)-3-(4-methoxyphenyl)thiourea. Following Lipinski's Rule of Five, 1-(1,1-Dioxothiolan-3-yl)-3-(4-methoxyphenyl)thiourea has 2 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-(1,1-Dioxothiolan-3-yl)-3-(4-methoxyphenyl)thiourea?
The CAS number of 1-(1,1-Dioxothiolan-3-yl)-3-(4-methoxyphenyl)thiourea is 507252-76-8.
What is the molecular formula of 1-(1,1-Dioxothiolan-3-yl)-3-(4-methoxyphenyl)thiourea?
The molecular formula of 1-(1,1-Dioxothiolan-3-yl)-3-(4-methoxyphenyl)thiourea is C12H16N2O3S2.
What is the molecular weight of 1-(1,1-Dioxothiolan-3-yl)-3-(4-methoxyphenyl)thiourea?
The molecular weight of 1-(1,1-Dioxothiolan-3-yl)-3-(4-methoxyphenyl)thiourea is 300.06 g/mol.
Where can I buy 1-(1,1-Dioxothiolan-3-yl)-3-(4-methoxyphenyl)thiourea?
You can request a quote for 1-(1,1-Dioxothiolan-3-yl)-3-(4-methoxyphenyl)thiourea 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-(4-methoxyphenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,1-Dioxothiolan-3-yl)-3-(4-methoxyphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.