Pseudourea, 2-(2-aminoethyl)-1-phenyl-2-thio-, dihydrobromide
TL;DR: Pseudourea, 2-(2-aminoethyl)-1-phenyl-2-thio-, dihydrobromide (CAS 16181-71-8) is a chemical compound with molecular formula C9H15Br2N3S and molecular weight 354.93533 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-aminoethyl N'-phenylcarbamimidothioate;dihydrobromide
Also Known As: USAF B-62, 1-Phenyl-2-(2-aminoethyl)isothiouronium dibromide, 2-aminoethyl n'-phenylcarbamimidothioate dihydrobromide, 2-Aminoethyl-N'-phenylisothiuronium bromide hydrobromide, Carbamimidothioic acid, phenyl-, 2-aminoethyl ester, dihydrobromide
Technical Specifications
| Molecular Formula | C9H15Br2N3S |
| Molecular Weight | 354.93533 g/mol |
| XLogP | 2.48 |
| Topological Polar Surface Area (TPSA) | 89.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.9333 Da |
| Heavy Atoms | 15 |
| Complexity | 164.0 |
| SMILES | C1=CC=C(C=C1)N=C(N)SCCN.Br.Br |
| InChIKey | OORJLPKTPUREGV-UHFFFAOYSA-N |
Chemical Property Profile of Pseudourea, 2-(2-aminoethyl)-1-phenyl-2-thio-, dihydrobromide
Property Insights of Pseudourea, 2-(2-aminoethyl)-1-phenyl-2-thio-, dihydrobromide
The XLogP value of 2.48 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pseudourea, 2-(2-aminoethyl)-1-phenyl-2-thio-, dihydrobromide. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Pseudourea, 2-(2-aminoethyl)-1-phenyl-2-thio-, dihydrobromide. Following Lipinski's Rule of Five, Pseudourea, 2-(2-aminoethyl)-1-phenyl-2-thio-, dihydrobromide has 4 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 Pseudourea, 2-(2-aminoethyl)-1-phenyl-2-thio-, dihydrobromide?
The CAS number of Pseudourea, 2-(2-aminoethyl)-1-phenyl-2-thio-, dihydrobromide is 16181-71-8.
What is the molecular formula of Pseudourea, 2-(2-aminoethyl)-1-phenyl-2-thio-, dihydrobromide?
The molecular formula of Pseudourea, 2-(2-aminoethyl)-1-phenyl-2-thio-, dihydrobromide is C9H15Br2N3S.
What is the molecular weight of Pseudourea, 2-(2-aminoethyl)-1-phenyl-2-thio-, dihydrobromide?
The molecular weight of Pseudourea, 2-(2-aminoethyl)-1-phenyl-2-thio-, dihydrobromide is 354.93533 g/mol.
Where can I buy Pseudourea, 2-(2-aminoethyl)-1-phenyl-2-thio-, dihydrobromide?
You can request a quote for Pseudourea, 2-(2-aminoethyl)-1-phenyl-2-thio-, dihydrobromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pseudourea, 2-(2-aminoethyl)-1-phenyl-2-thio-, dihydrobromide?
Yes, CoreyChem provides custom synthesis services for Pseudourea, 2-(2-aminoethyl)-1-phenyl-2-thio-, dihydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.