3-(4-Bromophenyl)-1-(2-cyanoethyl)-1-(2-hydroxyethyl)thiourea
TL;DR: 3-(4-Bromophenyl)-1-(2-cyanoethyl)-1-(2-hydroxyethyl)thiourea (CAS 145412-65-3) is a chemical compound with molecular formula C12H14BrN3OS and molecular weight 327.0041 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-bromophenyl)-1-(2-cyanoethyl)-1-(2-hydroxyethyl)thiourea
Also Known As: 3-(4-bromophenyl)-1-(2-cyanoethyl)-1-(2-hydroxyethyl)thiourea
Technical Specifications
| Molecular Formula | C12H14BrN3OS |
| Molecular Weight | 327.0041 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 91.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.0041 Da |
| Heavy Atoms | 18 |
| Complexity | 310.0 |
| SMILES | C1=CC(=CC=C1NC(=S)N(CCC#N)CCO)Br |
| InChIKey | VRDIRHYSFCPMNO-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-Bromophenyl)-1-(2-cyanoethyl)-1-(2-hydroxyethyl)thiourea
Property Insights of 3-(4-Bromophenyl)-1-(2-cyanoethyl)-1-(2-hydroxyethyl)thiourea
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Bromophenyl)-1-(2-cyanoethyl)-1-(2-hydroxyethyl)thiourea. The TPSA of 91.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Bromophenyl)-1-(2-cyanoethyl)-1-(2-hydroxyethyl)thiourea. Following Lipinski's Rule of Five, 3-(4-Bromophenyl)-1-(2-cyanoethyl)-1-(2-hydroxyethyl)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
What is the CAS number of 3-(4-Bromophenyl)-1-(2-cyanoethyl)-1-(2-hydroxyethyl)thiourea?
The CAS number of 3-(4-Bromophenyl)-1-(2-cyanoethyl)-1-(2-hydroxyethyl)thiourea is 145412-65-3.
What is the molecular formula of 3-(4-Bromophenyl)-1-(2-cyanoethyl)-1-(2-hydroxyethyl)thiourea?
The molecular formula of 3-(4-Bromophenyl)-1-(2-cyanoethyl)-1-(2-hydroxyethyl)thiourea is C12H14BrN3OS.
What is the molecular weight of 3-(4-Bromophenyl)-1-(2-cyanoethyl)-1-(2-hydroxyethyl)thiourea?
The molecular weight of 3-(4-Bromophenyl)-1-(2-cyanoethyl)-1-(2-hydroxyethyl)thiourea is 327.0041 g/mol.
Where can I buy 3-(4-Bromophenyl)-1-(2-cyanoethyl)-1-(2-hydroxyethyl)thiourea?
You can request a quote for 3-(4-Bromophenyl)-1-(2-cyanoethyl)-1-(2-hydroxyethyl)thiourea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Bromophenyl)-1-(2-cyanoethyl)-1-(2-hydroxyethyl)thiourea?
Yes, CoreyChem provides custom synthesis services for 3-(4-Bromophenyl)-1-(2-cyanoethyl)-1-(2-hydroxyethyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.