1-(3-Bromophenyl)-3-(1,1-dioxothiolan-3-yl)thiourea
TL;DR: 1-(3-Bromophenyl)-3-(1,1-dioxothiolan-3-yl)thiourea (CAS 443652-93-5) is a chemical compound with molecular formula C11H13BrN2O2S2 and molecular weight 347.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-bromophenyl)-3-(1,1-dioxothiolan-3-yl)thiourea
Also Known As: F1068-0634, 1-(3-bromophenyl)-3-(1,1-dioxothiolan-3-yl)thiourea, 1-(3-bromophenyl)-3-(1,1-dioxo-1lambda6-thiolan-3-yl)thiourea, 1-(3-bromophenyl)-3-(1,1-dioxidotetrahydrothiophen-3-yl)thiourea, 3-({[(3-bromophenyl)amino]thioxomethyl}amino)thiolane-1,1-dione
| Molecular Formula | C11H13BrN2O2S2 |
|---|---|
| Molecular Weight | 347.96 g/mol |
| LogP | 1.9226 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 347.96017 |
| Heavy Atoms | 18 |
| Complexity | 559.91656 |
Chemical Identifiers
| CAS Number | 443652-93-5 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1NC(=S)NC2=CC(=CC=C2)Br |
Product Overview
1-(3-Bromophenyl)-3-(1,1-dioxothiolan-3-yl)thiourea (CAS 443652-93-5), with molecular formula C11H13BrN2O2S2 and molecular weight 347.96 g/mol. IUPAC: 1-(3-bromophenyl)-3-(1,1-dioxothiolan-3-yl)thiourea.
Chemical Property Profile of 1-(3-Bromophenyl)-3-(1,1-dioxothiolan-3-yl)thiourea
Property Insights of 1-(3-Bromophenyl)-3-(1,1-dioxothiolan-3-yl)thiourea
The XLogP value of 1.9226 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Bromophenyl)-3-(1,1-dioxothiolan-3-yl)thiourea. With a topological polar surface area (TPSA) of 58.2 Ų, 1-(3-Bromophenyl)-3-(1,1-dioxothiolan-3-yl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Bromophenyl)-3-(1,1-dioxothiolan-3-yl)thiourea 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-Bromophenyl)-3-(1,1-dioxothiolan-3-yl)thiourea?
The CAS number of 1-(3-Bromophenyl)-3-(1,1-dioxothiolan-3-yl)thiourea is 443652-93-5.
What is the molecular formula of 1-(3-Bromophenyl)-3-(1,1-dioxothiolan-3-yl)thiourea?
The molecular formula of 1-(3-Bromophenyl)-3-(1,1-dioxothiolan-3-yl)thiourea is C11H13BrN2O2S2.
What is the molecular weight of 1-(3-Bromophenyl)-3-(1,1-dioxothiolan-3-yl)thiourea?
The molecular weight of 1-(3-Bromophenyl)-3-(1,1-dioxothiolan-3-yl)thiourea is 347.96 g/mol.
Where can I buy 1-(3-Bromophenyl)-3-(1,1-dioxothiolan-3-yl)thiourea?
You can request a quote for 1-(3-Bromophenyl)-3-(1,1-dioxothiolan-3-yl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Bromophenyl)-3-(1,1-dioxothiolan-3-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Bromophenyl)-3-(1,1-dioxothiolan-3-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.